4-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid

C16H18ClFN2O4 — CID 120534750

IUPAC4-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)C1CC(=O)N(c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C16H18ClFN2O4/c1-9(2-5-15(22)23)19-16(24)10-6-14(21)20(8-10)11-3-4-12(17)13(18)7-11/h3-4,7,9-10H,2,5-6,8H2,1H3,(H,19,24)(H,22,23)
InChIKeyJMARKFSBTSEJBX-UHFFFAOYSA-N
MW356.78 g/mol
LogP2.20
Rot. Bonds6

About 4-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid

4-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid (PubChem CID 120534750) has the molecular formula C16H18ClFN2O4 and a molecular weight of 356.78 g/mol. Its IUPAC name is 4-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
PubChem CID120534750
Molecular FormulaC16H18ClFN2O4
Molecular Weight356.78 g/mol
Exact Mass356.09
IUPAC Name4-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)C1CC(=O)N(c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C16H18ClFN2O4/c1-9(2-5-15(22)23)19-16(24)10-6-14(21)20(8-10)11-3-4-12(17)13(18)7-11/h3-4,7,9-10H,2,5-6,8H2,1H3,(H,19,24)(H,22,23)
InChIKeyJMARKFSBTSEJBX-UHFFFAOYSA-N
XLogP2.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid with MolForge

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Related Compounds

(2S)-2-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 120525907
7-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]heptanoic acid
CID 120524006
(3S)-1-(4-chloro-3-fluorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 124591586
2-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 120520365
N-butan-2-yl-1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187980
(3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9391280
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]pyrrolidine-3-carboxamide
CID 9352164
N-(1-carbamoylcyclopropyl)-1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 146124222
(3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 774003
(2S)-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238025
N-butan-2-yl-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082340
(3S)-N-[(2S)-butan-2-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393073

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of 4-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid (CID 120534750) is 4-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 4-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for 4-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid is CC(CCC(=O)O)NC(=O)C1CC(=O)N(c2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 4-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
The InChIKey is JMARKFSBTSEJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O4/c1-9(2-5-15(22)23)19-16(24)10-6-14(21)20(8-10)11-3-4-12(17)13(18)7-11/h3-4,7,9-10H,2,5-6,8H2,1H3,(H,19,24)(H,22,23).
What are the key properties of 4-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
4-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid has a molecular weight of 356.78 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 120534750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).