3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid

C14H16N2O4 — CID 24690464

IUPAC3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(O)CC(NC(=O)C1CCC(=O)N1)c1ccccc1
InChIInChI=1S/C14H16N2O4/c17-12-7-6-10(15-12)14(20)16-11(8-13(18)19)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,17)(H,16,20)(H,18,19)
InChIKeyABMZLTTVNUYJOM-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.60
Rot. Bonds5

About 3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid

3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 24690464) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID24690464
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
SMILESO=C(O)CC(NC(=O)C1CCC(=O)N1)c1ccccc1
InChIInChI=1S/C14H16N2O4/c17-12-7-6-10(15-12)14(20)16-11(8-13(18)19)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,17)(H,16,20)(H,18,19)
InChIKeyABMZLTTVNUYJOM-UHFFFAOYSA-N
XLogP0.60
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1R)-2-(4-fluorophenyl)-1-phenylethyl]-5-oxopyrrolidine-2-carboxamide
CID 95234220
(2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid
CID 61145312
(2R)-N-[(R)-cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95283633
(3S)-4-oxo-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoic acid
CID 173316807
5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide
CID 3051644
3-[(4-methylpiperidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 115867052
(2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 120567464
(2R)-N-[(1R)-1,2-bis(3-fluorophenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95318346
2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 113265030
(2S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95905263
(2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95771540
3-[(5-oxopyrrolidin-3-yl)carbamoylamino]-3-phenylpropanoic acid
CID 106191844

Frequently Asked Questions

What is the IUPAC name of 3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid (CID 24690464) is 3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid is O=C(O)CC(NC(=O)C1CCC(=O)N1)c1ccccc1.
What is the InChIKey of 3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is ABMZLTTVNUYJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-12-7-6-10(15-12)14(20)16-11(8-13(18)19)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,17)(H,16,20)(H,18,19).
What are the key properties of 3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid?
3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 276.29 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 24690464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).