4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid

C14H26N2O3 — CID 104914026

IUPAC4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid
SMILESCCC(CCNC(=O)[C@@H]1CCCCN1)CCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-2-11(6-7-13(17)18)8-10-16-14(19)12-5-3-4-9-15-12/h11-12,15H,2-10H2,1H3,(H,16,19)(H,17,18)/t11?,12-/m0/s1
InChIKeyZGUJIWJTOBKJPX-KIYNQFGBSA-N
MW270.37 g/mol
LogP1.53
Rot. Bonds8

About 4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid

4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid (PubChem CID 104914026) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid
PubChem CID104914026
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid
SMILESCCC(CCNC(=O)[C@@H]1CCCCN1)CCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-2-11(6-7-13(17)18)8-10-16-14(19)12-5-3-4-9-15-12/h11-12,15H,2-10H2,1H3,(H,16,19)(H,17,18)/t11?,12-/m0/s1
InChIKeyZGUJIWJTOBKJPX-KIYNQFGBSA-N
XLogP1.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(piperidine-2-carbonylamino)propanoic acid
CID 61157644
4-ethyl-6-[(4-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 114424091
(2S)-N-(3-hydroxypentyl)piperidine-2-carboxamide
CID 103810229
4-ethyl-6-[(3-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 107068233
4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid
CID 82688811
(2R)-N-(3-hydroxybutyl)piperidine-2-carboxamide
CID 103808747
3-[(azepane-2-carbonylamino)methyl]pentanoic acid
CID 81072934
4,4-dimethyl-6-[[(2R)-piperidine-2-carbonyl]amino]hexanoic acid
CID 104914105
N-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride
CID 119261605
(2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide
CID 103809553
N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide
CID 54901064
(2R)-N-[3-(butan-2-ylamino)-3-oxopropyl]piperidine-2-carboxamide;hydrochloride
CID 119737566

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid?
The IUPAC name of 4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid (CID 104914026) is 4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid?
The canonical SMILES for 4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid is CCC(CCNC(=O)[C@@H]1CCCCN1)CCC(=O)O.
What is the InChIKey of 4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid?
The InChIKey is ZGUJIWJTOBKJPX-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-2-11(6-7-13(17)18)8-10-16-14(19)12-5-3-4-9-15-12/h11-12,15H,2-10H2,1H3,(H,16,19)(H,17,18)/t11?,12-/m0/s1.
What are the key properties of 4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid?
4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[[(2S)-piperidine-2-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 104914026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).