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

C12H20N2O3 — CID 64817965

IUPAC2-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)C1CCNC1
InChIInChI=1S/C12H20N2O3/c15-11(8-5-6-13-7-8)14-10-4-2-1-3-9(10)12(16)17/h8-10,13H,1-7H2,(H,14,15)(H,16,17)
InChIKeyDVFYNBZARRGXDU-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.36
Rot. Bonds3

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

2-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 64817965) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID64817965
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCCC1C(=O)O)C1CCNC1
InChIInChI=1S/C12H20N2O3/c15-11(8-5-6-13-7-8)14-10-4-2-1-3-9(10)12(16)17/h8-10,13H,1-7H2,(H,14,15)(H,16,17)
InChIKeyDVFYNBZARRGXDU-UHFFFAOYSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 64814811
N-(2-carbamoylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119802178
2-(cyclopentanecarbonylamino)cyclopentane-1-carboxylic acid
CID 64814347
N-(2-hydroxycyclopentyl)pyrrolidine-3-carboxamide
CID 130671373
N-(2-methylcyclopropyl)pyrrolidine-3-carboxamide
CID 63006462
2-[(2-methylpiperidine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 106740331
(3R)-N-(2-methylcycloheptyl)piperidine-3-carboxamide
CID 81134931
N-[(1R,2R)-2-hydroxycyclohexyl]piperidine-3-carboxamide
CID 107222065
trans-(1R,2R)-2-(cyclopent-3-ene-1-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161395
N-(4-methyloxolan-3-yl)pyrrolidine-3-carboxamide
CID 164659164
N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130644756
(3S)-N-(2-cyclopropylcyclopropyl)pyrrolidine-3-carboxamide
CID 130763155

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylic acid (CID 64817965) is 2-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylic acid is O=C(NC1CCCCC1C(=O)O)C1CCNC1.
What is the InChIKey of 2-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is DVFYNBZARRGXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(8-5-6-13-7-8)14-10-4-2-1-3-9(10)12(16)17/h8-10,13H,1-7H2,(H,14,15)(H,16,17).
What are the key properties of 2-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylic acid?
2-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.36, 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)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64817965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).