(6S)-N-benzyl-3-methyl-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide

C16H20N2O3 — CID 149222772

IUPAC(6S)-N-benzyl-3-methyl-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide
SMILESCC1COC2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O
InChIInChI=1S/C16H20N2O3/c1-11-10-21-14-8-7-13(18(14)16(11)20)15(19)17-9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,17,19)/t11?,13-,14?/m0/s1
InChIKeyXITQNTQGNFQORZ-QRMWWUJWSA-N
MW288.35 g/mol
LogP1.29
Rot. Bonds3

About (6S)-N-benzyl-3-methyl-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide

(6S)-N-benzyl-3-methyl-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide (PubChem CID 149222772) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (6S)-N-benzyl-3-methyl-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-benzyl-3-methyl-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide
PubChem CID149222772
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(6S)-N-benzyl-3-methyl-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide
SMILESCC1COC2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O
InChIInChI=1S/C16H20N2O3/c1-11-10-21-14-8-7-13(18(14)16(11)20)15(19)17-9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,17,19)/t11?,13-,14?/m0/s1
InChIKeyXITQNTQGNFQORZ-QRMWWUJWSA-N
XLogP1.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6S)-N-benzyl-3-methyl-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,6S,8aS)-6-[(2S)-2-amino-3-methylbutanamido]-N-benzyl-5-oxo-octahydroindolizine-3-carboxamide
CID 11474659
cis-N-benzyl-5-((R)-sec-butyl)-6-oxomorpholine-3-carboxamide
CID 44417176
N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 72109839
(2S)-1-[(1R)-1-(2-fluorophenyl)-2-(methylamino)-2-oxoethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 75411459
2-(8-benzyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide
CID 118743994
US10300074, Compd 15
CID 90201968
3-[(4R,7S,8aS)-7-(benzylamino)-1-oxo-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]-N-propan-2-ylpropanamide
CID 45360623
N-benzyl-3-ethyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentanamide
CID 53384000
N-benzyl-3-methyl-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]butanamide
CID 53384002
(2S)-1-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 75411400
N-{1-Benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-YL}oxane-4-carboxamide
CID 91910925
N-Benzyl-1-[1-(3-methoxypropanoyl)piperidin-4-YL]-5-oxopyrrolidine-2-carboxamide
CID 124052824

Frequently Asked Questions

What is the IUPAC name of (6S)-N-benzyl-3-methyl-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide?
The IUPAC name of (6S)-N-benzyl-3-methyl-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide (CID 149222772) is (6S)-N-benzyl-3-methyl-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide.
What is the SMILES notation for (6S)-N-benzyl-3-methyl-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide?
The canonical SMILES for (6S)-N-benzyl-3-methyl-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide is CC1COC2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O.
What is the InChIKey of (6S)-N-benzyl-3-methyl-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide?
The InChIKey is XITQNTQGNFQORZ-QRMWWUJWSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-10-21-14-8-7-13(18(14)16(11)20)15(19)17-9-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,17,19)/t11?,13-,14?/m0/s1.
What are the key properties of (6S)-N-benzyl-3-methyl-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide?
(6S)-N-benzyl-3-methyl-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-benzyl-3-methyl-4-oxo-2,3,6,7,8,8a-hexahydropyrrolo[2,1-b][1,3]oxazine-6-carboxamide is sourced from PubChem (CID 149222772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).