4-ethyl-1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid

C15H26N2O3 — CID 104913572

IUPAC4-ethyl-1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)[C@H]2CCCCN2)(C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-2-11-6-8-15(9-7-11,14(19)20)17-13(18)12-5-3-4-10-16-12/h11-12,16H,2-10H2,1H3,(H,17,18)(H,19,20)/t11?,12-,15?/m1/s1
InChIKeyORZNGKFOGZMKBN-MQYJIDSJSA-N
MW282.38 g/mol
LogP1.67
Rot. Bonds4

About 4-ethyl-1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid

4-ethyl-1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 104913572) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-ethyl-1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID104913572
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-ethyl-1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)[C@H]2CCCCN2)(C(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-2-11-6-8-15(9-7-11,14(19)20)17-13(18)12-5-3-4-10-16-12/h11-12,16H,2-10H2,1H3,(H,17,18)(H,19,20)/t11?,12-,15?/m1/s1
InChIKeyORZNGKFOGZMKBN-MQYJIDSJSA-N
XLogP1.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-[[(2R)-pyrrolidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 103870910
N-(4-ethylcyclohexyl)piperidine-2-carboxamide;hydrochloride
CID 119285364
4-ethyl-1-[[(2S)-oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 93298114
3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
CID 64889873
4-ethyl-1-(piperidin-4-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61403150
2-[1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexyl]acetic acid
CID 104914061
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119300473
1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61195802
4-ethyl-1-[[2-methyl-2-(methylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 62845996
4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid
CID 43341491
1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61001600
N-(3-ethylpentan-3-yl)piperidine-2-carboxamide
CID 65039048

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 104913572) is 4-ethyl-1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)[C@H]2CCCCN2)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is ORZNGKFOGZMKBN-MQYJIDSJSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-11-6-8-15(9-7-11,14(19)20)17-13(18)12-5-3-4-10-16-12/h11-12,16H,2-10H2,1H3,(H,17,18)(H,19,20)/t11?,12-,15?/m1/s1.
What are the key properties of 4-ethyl-1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-ethyl-1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104913572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).