4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid

C18H24N2O4 — CID 124682956

IUPAC4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H24N2O4/c1-18(2,9-8-16(22)23)19-17(24)14-10-15(21)20(12-14)11-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,19,24)(H,22,23)/t14-/m0/s1
InChIKeyQDWDAVACHZWTLM-AWEZNQCLSA-N
MW332.40 g/mol
LogP1.79
Rot. Bonds7

About 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid

4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 124682956) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
PubChem CID124682956
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C18H24N2O4/c1-18(2,9-8-16(22)23)19-17(24)14-10-15(21)20(12-14)11-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,19,24)(H,22,23)/t14-/m0/s1
InChIKeyQDWDAVACHZWTLM-AWEZNQCLSA-N
XLogP1.79
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

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
4-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119357531
4-methyl-4-[[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pentanoic acid
CID 124691395
N-[3-(aminomethyl)pentan-3-yl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 119570033
N-(2-methylbutan-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 53497922
4-[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119204598
N-(1-amino-2,4-dimethylpentan-2-yl)-1-benzyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119598604
1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17396518
1-benzyl-N-[3-(methylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 119431391
(3S)-N-(2-methylpentan-2-yl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94356863
(3S)-1-benzyl-N-[(2R)-butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 34269419

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid (CID 124682956) is 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is QDWDAVACHZWTLM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-18(2,9-8-16(22)23)19-17(24)14-10-15(21)20(12-14)11-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,19,24)(H,22,23)/t14-/m0/s1.
What are the key properties of 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid?
4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 332.40 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 124682956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).