ISDA: 7GAF

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: K96

IUPAC Name: N-{[(2R)-oxolan-2-yl]methyl}morpholine-4-carboxamide

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: O=C(NC[C@@H]1CCCO1)N1CCOCC1

InChI: InChI=1S/C10H18N2O3/c13-10(12-3-6-14-7-4-12)11-8-9-2-1-5-15-9/h9H,1-8H2,(H,11,13)/t9-/m0/s1

InChI Key: ATXCVEYWESPIDM-VIFPVBQESA-N

Physiochemical Descriptor:

Formula: C10 H18 N2 O3

Molecular weight: 214.262

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 1

Rotatable Bonds: 2

Heavy Atoms: 15

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	N-{[(2R)-oxolan-2-yl]methyl}morpholine-4-carboxamide
OpenEye OEToolkits	2.0.7	~{N}-[[(2~{S})-oxolan-2-yl]methyl]morpholine-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCC1CCCO1)N1CCOCC1
InChI	InChI	1.06	InChI=1S/C10H18N2O3/c13-10(12-3-6-14-7-4-12)11-8-9-2-1-5-15-9/h9H,1-8H2,(H,11,13)
InChIKey	InChI	1.06	ATXCVEYWESPIDM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C(NC[C@@H]1CCCO1)N2CCOCC2
SMILES	CACTVS	3.385	O=C(NC[CH]1CCCO1)N2CCOCC2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C1C[C@H](OC1)CNC(=O)N2CCOCC2
SMILES	OpenEye OEToolkits	2.0.7	C1CC(OC1)CNC(=O)N2CCOCC2

Chemical Database Mapping

Database	Reference ID
PubChem	735630