2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid

C11H18N2O3 — CID 64814811

IUPAC2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)C1CCNC1
InChIInChI=1S/C11H18N2O3/c14-10(7-4-5-12-6-7)13-9-3-1-2-8(9)11(15)16/h7-9,12H,1-6H2,(H,13,14)(H,15,16)
InChIKeyRQBGGJVBHPFWEG-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.03
Rot. Bonds3

About 2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid

2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 64814811) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID64814811
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)C1CCNC1
InChIInChI=1S/C11H18N2O3/c14-10(7-4-5-12-6-7)13-9-3-1-2-8(9)11(15)16/h7-9,12H,1-6H2,(H,13,14)(H,15,16)
InChIKeyRQBGGJVBHPFWEG-UHFFFAOYSA-N
XLogP-0.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 64817965
N-(2-carbamoylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119802178
N-(2-hydroxycyclopentyl)pyrrolidine-3-carboxamide
CID 130671373
2-(cyclopentanecarbonylamino)cyclopentane-1-carboxylic acid
CID 64814347
N-(2-methylcyclopropyl)pyrrolidine-3-carboxamide
CID 63006462
2-[(2-methylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 106740331
N-(4-methyloxolan-3-yl)pyrrolidine-3-carboxamide
CID 164659164
N-(2-benzylcyclopentyl)pyrrolidine-3-carboxamide
CID 119794025
N-(8-tricyclo[5.2.1.02,6]decanyl)pyrrolidine-3-carboxamide
CID 63005281
N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130644756
(3S)-N-(2-cyclopropylcyclopropyl)pyrrolidine-3-carboxamide
CID 130763155
(3S)-N-(2-methyloxolan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130747909

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid (CID 64814811) is 2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid is O=C(NC1CCCC1C(=O)O)C1CCNC1.
What is the InChIKey of 2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is RQBGGJVBHPFWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10(7-4-5-12-6-7)13-9-3-1-2-8(9)11(15)16/h7-9,12H,1-6H2,(H,13,14)(H,15,16).
What are the key properties of 2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid?
2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64814811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).