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

C14H24N2O3 — CID 104901353

IUPAC4-methyl-1-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)[C@H]2CCCN2)(C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-10-4-6-14(7-5-10,13(18)19)9-16-12(17)11-3-2-8-15-11/h10-11,15H,2-9H2,1H3,(H,16,17)(H,18,19)/t10?,11-,14?/m1/s1
InChIKeyVVCLJVWQGOHMOI-IQLKVPPVSA-N
MW268.36 g/mol
LogP1.14
Rot. Bonds4

About 4-methyl-1-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid

4-methyl-1-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 104901353) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-methyl-1-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID104901353
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-methyl-1-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CCC(CNC(=O)[C@H]2CCCN2)(C(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-10-4-6-14(7-5-10,13(18)19)9-16-12(17)11-3-2-8-15-11/h10-11,15H,2-9H2,1H3,(H,16,17)(H,18,19)/t10?,11-,14?/m1/s1
InChIKeyVVCLJVWQGOHMOI-IQLKVPPVSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(azepane-2-carbonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442641
4-methyl-1-[[(4-methylpiperidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 114424364
4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 104914473
4-methyl-1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115442616
4-methyl-1-[[(2-methylpiperidine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106740478
(2S)-N-[(1-methylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 63829240
(2S)-N-[(1-ethylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 103797869
N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119325049
(2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 103814097
N-[[1-(hydroxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide
CID 113293938
1-[[(1-aminocyclopentanecarbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442649
(2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide
CID 104914457

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 104901353) is 4-methyl-1-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid is CC1CCC(CNC(=O)[C@H]2CCCN2)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is VVCLJVWQGOHMOI-IQLKVPPVSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10-4-6-14(7-5-10,13(18)19)9-16-12(17)11-3-2-8-15-11/h10-11,15H,2-9H2,1H3,(H,16,17)(H,18,19)/t10?,11-,14?/m1/s1.
What are the key properties of 4-methyl-1-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid?
4-methyl-1-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104901353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).