2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid

C13H22N2O3 — CID 104901218

IUPAC2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1CNC(=O)[C@H]1CCCN1
InChIInChI=1S/C13H22N2O3/c16-12(11-6-3-7-14-11)15-8-9-4-1-2-5-10(9)13(17)18/h9-11,14H,1-8H2,(H,15,16)(H,17,18)/t9?,10?,11-/m1/s1
InChIKeySCXGFBNDHVHVSI-VQXHTEKXSA-N
MW254.33 g/mol
LogP0.75
Rot. Bonds4

About 2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid

2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 104901218) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID104901218
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1CNC(=O)[C@H]1CCCN1
InChIInChI=1S/C13H22N2O3/c16-12(11-6-3-7-14-11)15-8-9-4-1-2-5-10(9)13(17)18/h9-11,14H,1-8H2,(H,15,16)(H,17,18)/t9?,10?,11-/m1/s1
InChIKeySCXGFBNDHVHVSI-VQXHTEKXSA-N
XLogP0.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;ethylboronic acid;2-[(pyrrolidine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 164549584
(2S)-N-[(2-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 103809808
(2R)-N-[(2-methylcyclopentyl)methyl]piperidine-2-carboxamide
CID 107418450
(2R)-N-[(2-methylcyclopropyl)methyl]pyrrolidine-2-carboxamide
CID 103795243
2-[[(3-methylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107068302
N-[(2-hydroxycyclopentyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 111463943
2-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 114429200
(2S)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidine-2-carboxamide
CID 79362349
2-[[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66477997
N-(cyclooctylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119299438
N-(cyclobutylmethyl)azepane-2-carboxamide
CID 64564563
(2S)-N-(2-bicyclo[2.2.1]heptanylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119756599

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 104901218) is 2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1CNC(=O)[C@H]1CCCN1.
What is the InChIKey of 2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is SCXGFBNDHVHVSI-VQXHTEKXSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(11-6-3-7-14-11)15-8-9-4-1-2-5-10(9)13(17)18/h9-11,14H,1-8H2,(H,15,16)(H,17,18)/t9?,10?,11-/m1/s1.
What are the key properties of 2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104901218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).