3-[2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoic acid

C19H24N2O4 — CID 125149425

IUPAC3-[2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoic acid
SMILESO=C(O)c1cccc(CCNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1
InChIInChI=1S/C19H24N2O4/c22-17-11-15(12-21(17)16-6-1-2-7-16)18(23)20-9-8-13-4-3-5-14(10-13)19(24)25/h3-5,10,15-16H,1-2,6-9,11-12H2,(H,20,23)(H,24,25)/t15-/m0/s1
InChIKeyVUSSYSYMURKVPY-HNNXBMFYSA-N
MW344.41 g/mol
LogP1.83
Rot. Bonds6

About 3-[2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoic acid

3-[2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoic acid (PubChem CID 125149425) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-[2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoic acid
PubChem CID125149425
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name3-[2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoic acid
SMILESO=C(O)c1cccc(CCNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1
InChIInChI=1S/C19H24N2O4/c22-17-11-15(12-21(17)16-6-1-2-7-16)18(23)20-9-8-13-4-3-5-14(10-13)19(24)25/h3-5,10,15-16H,1-2,6-9,11-12H2,(H,20,23)(H,24,25)/t15-/m0/s1
InChIKeyVUSSYSYMURKVPY-HNNXBMFYSA-N
XLogP1.83
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(cycloheptanecarbonylamino)ethyl]benzoic acid
CID 63795982
3-[2-(cyclohexanecarbonylamino)ethyl]benzoic acid
CID 63795104
N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 46539812
(3R)-1-cyclopentyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 97124433
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464
1-cyclohexyl-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110627054
1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466
(3S)-N-[2-(2-chloro-6-fluorophenyl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97130733
(3S)-1-cyclopentyl-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 94181168
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 72931407
2-[3-[[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenoxy]acetic acid
CID 119246596
(3R)-N-[3-(4-chlorophenyl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97113539

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoic acid?
The IUPAC name of 3-[2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoic acid (CID 125149425) is 3-[2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 3-[2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoic acid?
The canonical SMILES for 3-[2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoic acid is O=C(O)c1cccc(CCNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1.
What is the InChIKey of 3-[2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoic acid?
The InChIKey is VUSSYSYMURKVPY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-17-11-15(12-21(17)16-6-1-2-7-16)18(23)20-9-8-13-4-3-5-14(10-13)19(24)25/h3-5,10,15-16H,1-2,6-9,11-12H2,(H,20,23)(H,24,25)/t15-/m0/s1.
What are the key properties of 3-[2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoic acid?
3-[2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoic acid has a molecular weight of 344.41 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 125149425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).