ISDA: 9R3N

Structural Complex

Chemical ID: XKD

IUPAC Name: N-methyl-D-alaninamide

Formal Charge: 0

Type: non-polymer

Physiochemical Descriptor:

Formula: C4 H10 N2 O

Molecular weight: 102.135

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 2

Rotatable Bonds: 4

Heavy Atoms: 7

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	N-methyl-D-alaninamide
OpenEye OEToolkits	2.0.7	(2~{R})-2-azanyl-~{N}-methyl-propanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CNC(=O)C(C)N
InChI	InChI	1.03	InChI=1S/C4H10N2O/c1-3(5)4(7)6-2/h3H,5H2,1-2H3,(H,6,7)/t3-/m1/s1
InChIKey	InChI	1.03	CKQYFZPCICOPMQ-GSVOUGTGSA-N
SMILES_CANONICAL	CACTVS	3.385	CNC(=O)[C@@H](C)N
SMILES	CACTVS	3.385	CNC(=O)[CH](C)N
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@H](C(=O)NC)N
SMILES	OpenEye OEToolkits	2.0.7	CC(C(=O)NC)N

Chemical Database Mapping

Database	Reference ID
PubChem	10920456
ZINC	ZINC000019422287
SureChEMBL	SCHEMBL4447525