(3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide

C17H24N2O3 — CID 95632586

IUPAC(3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@H](COC)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-3-15(12-22-2)18-17(21)14-9-16(20)19(11-14)10-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3,(H,18,21)/t14-,15-/m1/s1
InChIKeyOHSGCIOMHWUGIY-HUUCEWRRSA-N
MW304.39 g/mol
LogP1.58
Rot. Bonds7

About (3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95632586) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95632586
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCC[C@H](COC)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C17H24N2O3/c1-3-15(12-22-2)18-17(21)14-9-16(20)19(11-14)10-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3,(H,18,21)/t14-,15-/m1/s1
InChIKeyOHSGCIOMHWUGIY-HUUCEWRRSA-N
XLogP1.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzyl-N-[(2R)-butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 34269419
N-(1-amino-4-methylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 119586792
1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 46527621
1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 91638875
(3S)-N-[(1R)-1,2-diphenylethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93017858
methyl 2-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 51881440
methyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate
CID 43074328
2-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119197288
2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 119223213
2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 119165639
(3R)-1-benzyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-oxopyrrolidine-3-carboxamide
CID 68914192
(2S)-2-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 124605830

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 95632586) is (3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide is CC[C@H](COC)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OHSGCIOMHWUGIY-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-15(12-22-2)18-17(21)14-9-16(20)19(11-14)10-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3,(H,18,21)/t14-,15-/m1/s1.
What are the key properties of (3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95632586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).