Molecule

N,N-Dimethylglycine

AlkaPlorer ID: AK000591

Synonym: Dimethylaminoacetic acid, Dimethylamine-N-acetic acid

IUPAC Name: 2-(dimethylamino)acetic acid

SMILES: CN(C)CC(=O)O

InChI: InChI=1S/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)

InChIKey: FFDGPVCHZBVARC-UHFFFAOYSA-N

PubChem CID: 673

CAS: 1118-68-9

LOTUS: LTS0106525

SuperNatural Ⅲ: SN0084036

NPASS: NPC116941

COCONUT: CNP0175140

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Homo sapiens	Homo	Hominidae	Primates	Mammalia	Chordata	Metazoa	Eukaryota
Mus musculus	Mus	Muridae	Rodentia	Mammalia	Chordata	Metazoa	Eukaryota
Daphnia magna	Daphnia	Daphniidae	Diplostraca	Branchiopoda	Arthropoda	Metazoa	Eukaryota

Molecule Weight: 103.12099999999998

TPSA？: 40.540000000000006

MolLogP？: -0.3674

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	19952.62	nM	10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	IC50	20000.0	nM	10.6019/CHEMBL4651402

AKRT ID	Reaction	Reaction Link ID
AKRT000094	C(=O)CC[C@H](NC(=O)c1ccc(NC[C@H]2CNc3nc(N)[nH]c(=O)c3N2)cc1)C(=O)O.CN(C)CC(=O)O>>C(=O)CC[C@H](NC(=O)c1ccc(N2C[C@H]3CNc4nc(N)[nH]c(=O)c4N3C2)cc1)C(=O)O	RXN-22706
AKRT001952	C=O.CNCC(=O)O>>CN(C)CC(=O)O	MNXR135115
AKRT010367	CN(C)CC(=O)O.CSCCC(N)C(=O)O>>C[N+](C)(C)CC(=O)O	enzymemap_27475
AKRT010368	CN(C)CC(=O)O.C[SAH]>>C[N+](C)(C)CC(=O)O	RXN-9680
AKRT010369	CN(C)CC(=O)O.Nc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2>>Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)C[C@H]1CN2	R01564
AKRT010370	CN(C)CC(=O)O>>C=O	RXN-22744
AKRT010371	CN(C)CC(=O)O>>CNCC(=O)O	RXN-22744
AKRT010700	CNCC(=O)O.C[SAH]>>CN(C)CC(=O)O	RXN-9679
AKRT010701	CNCC(=O)O.C[SAH]>>C[NH+](C)CC(=O)O	enzymemap_26039
AKRT014273	C[N+](C)(C)CC(=O)O>>CN(C)CC(=O)O	RXN-22705
AKRT014453	C[NH+](C)CC(=O)O.C[SAH]>>C[N+](C)(C)CC(=O)O	enzymemap_26039
AKRT014595	C[SAH].C[SAH].NCC(=O)O>>CN(C)CC(=O)O	R10060