3-(2-oxopyrrolidin-1-yl)-2-propylbenzoic acid

C14H17NO3 — CID 90425486

IUPAC3-(2-oxopyrrolidin-1-yl)-2-propylbenzoic acid
SMILESCCCc1c(C(=O)O)cccc1N1CCCC1=O
InChIInChI=1S/C14H17NO3/c1-2-5-10-11(14(17)18)6-3-7-12(10)15-9-4-8-13(15)16/h3,6-7H,2,4-5,8-9H2,1H3,(H,17,18)
InChIKeyKPFJYHRUNLTYAZ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.46
Rot. Bonds4

About 3-(2-oxopyrrolidin-1-yl)-2-propylbenzoic acid

3-(2-oxopyrrolidin-1-yl)-2-propylbenzoic acid (PubChem CID 90425486) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)-2-propylbenzoic acid.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)-2-propylbenzoic acid
PubChem CID90425486
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-(2-oxopyrrolidin-1-yl)-2-propylbenzoic acid
SMILESCCCc1c(C(=O)O)cccc1N1CCCC1=O
InChIInChI=1S/C14H17NO3/c1-2-5-10-11(14(17)18)6-3-7-12(10)15-9-4-8-13(15)16/h3,6-7H,2,4-5,8-9H2,1H3,(H,17,18)
InChIKeyKPFJYHRUNLTYAZ-UHFFFAOYSA-N
XLogP2.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-(2-oxopyrrolidin-1-yl)benzoic acid
CID 22252981
1-(3-benzylsulfanyl-2-ethylphenyl)pyrrolidin-2-one
CID 73424864
1-(2-hydroxyphenyl)pyrrolidin-2-one
CID 695303
1-(2,3-dimethylphenyl)pyrrolidin-2-one
CID 69199779
phenacyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9131445
N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9297068
3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)-4-(propan-2-ylamino)-2-propylbenzamide
CID 87834491
(2R)-2-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 103794249
5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid
CID 16772914
3-[2-(2-oxopiperidin-1-yl)phenyl]propanoic acid
CID 107273661
(3-methylphenyl)methyl 2-(2-oxopyrrolidin-1-yl)benzoate
CID 9133484
3-(2-oxopiperidin-1-yl)-2-phenylbenzamide;hydrochloride
CID 174723380

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)-2-propylbenzoic acid?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)-2-propylbenzoic acid (CID 90425486) is 3-(2-oxopyrrolidin-1-yl)-2-propylbenzoic acid.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)-2-propylbenzoic acid?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)-2-propylbenzoic acid is CCCc1c(C(=O)O)cccc1N1CCCC1=O.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)-2-propylbenzoic acid?
The InChIKey is KPFJYHRUNLTYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-5-10-11(14(17)18)6-3-7-12(10)15-9-4-8-13(15)16/h3,6-7H,2,4-5,8-9H2,1H3,(H,17,18).
What are the key properties of 3-(2-oxopyrrolidin-1-yl)-2-propylbenzoic acid?
3-(2-oxopyrrolidin-1-yl)-2-propylbenzoic acid has a molecular weight of 247.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)-2-propylbenzoic acid is sourced from PubChem (CID 90425486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).