(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid

C10H15NO3 — CID 776745

IUPAC(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C10H15NO3/c12-9-5-7(10(13)14)6-11(9)8-3-1-2-4-8/h7-8H,1-6H2,(H,13,14)/t7-/m0/s1
InChIKeyDZQZKPNTCXAUKJ-ZETCQYMHSA-N
MW197.23 g/mol
LogP0.86
Rot. Bonds2

About (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid

(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 776745) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID776745
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C10H15NO3/c12-9-5-7(10(13)14)6-11(9)8-3-1-2-4-8/h7-8H,1-6H2,(H,13,14)/t7-/m0/s1
InChIKeyDZQZKPNTCXAUKJ-ZETCQYMHSA-N
XLogP0.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-5-oxopyrrolidine-3-carboxylic acid
CID 122766
5-Oxo-1-(propan-2-yl)pyrrolidine-3-carboxylic acid
CID 3151004
1-tert-Butyl-5-oxopyrrolidine-3-carboxylic acid
CID 3163418
1-Cyclopropyl-5-oxopyrrolidine-3-carboxylic acid
CID 4714359
1-Cyclohexyl-5-oxopyrrolidine-3-carboxylic acid
CID 238546
1-Ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 4715303
1-Isobutyl-5-oxopyrrolidine-3-carboxylic acid
CID 4777942
1-Sec-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950
1-Cyclopentyl-5-oxopyrrolidine-3-carboxylic acid
CID 4777956
1-Butyl-5-oxopyrrolidine-3-carboxylic acid
CID 3016409
1-Cycloheptyl-5-oxopyrrolidine-3-carboxylic acid
CID 3238408
1-(1-Ethylpropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4778108

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid (CID 776745) is (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is DZQZKPNTCXAUKJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15NO3/c12-9-5-7(10(13)14)6-11(9)8-3-1-2-4-8/h7-8H,1-6H2,(H,13,14)/t7-/m0/s1.
What are the key properties of (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid?
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 776745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).