(2-ethylcyclohexyl) (2S)-2-amino-3-methylpentanoate

C14H27NO2 — CID 61277251

IUPAC(2-ethylcyclohexyl) (2S)-2-amino-3-methylpentanoate
SMILESCCC1CCCCC1OC(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C14H27NO2/c1-4-10(3)13(15)14(16)17-12-9-7-6-8-11(12)5-2/h10-13H,4-9,15H2,1-3H3/t10?,11?,12?,13-/m0/s1
InChIKeyGNDBFUFBOCJIGE-SKQCGHHBSA-N
MW241.37 g/mol
LogP2.87
Rot. Bonds5

About (2-ethylcyclohexyl) (2S)-2-amino-3-methylpentanoate

(2-ethylcyclohexyl) (2S)-2-amino-3-methylpentanoate (PubChem CID 61277251) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (2-ethylcyclohexyl) (2S)-2-amino-3-methylpentanoate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) (2S)-2-amino-3-methylpentanoate
PubChem CID61277251
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(2-ethylcyclohexyl) (2S)-2-amino-3-methylpentanoate
SMILESCCC1CCCCC1OC(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C14H27NO2/c1-4-10(3)13(15)14(16)17-12-9-7-6-8-11(12)5-2/h10-13H,4-9,15H2,1-3H3/t10?,11?,12?,13-/m0/s1
InChIKeyGNDBFUFBOCJIGE-SKQCGHHBSA-N
XLogP2.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylcyclohexyl) 2-amino-3-methylbutanoate
CID 61277440
(2-ethylcyclohexyl) 2-aminopropanoate
CID 61277036
(2-ethylcyclohexyl) 5-amino-2-methylpentanoate
CID 104686005
(2-ethylcyclohexyl) 3-amino-2-methoxypropanoate
CID 106109472
[(3R,6R)-6-[(2S,3S)-2-amino-3-methylpentanoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] (2S,3S)-2-amino-3-methylpentanoate
CID 101024949
cyclopropylmethyl 2-amino-3-methylpentanoate
CID 61150459
(4-methylcyclohexyl) (2S)-2-amino-3-methylpentanoate
CID 61278644
(4-methylcyclohexyl) (2S,3S)-2-amino-3-methylpentanoate
CID 61278231
oxetan-3-yl 2-amino-3-methylpentanoate
CID 102606938
2-amino-1-cyclohexyl-3-methylpentan-1-one
CID 59078548
(4,4-dimethylcyclohexyl) 2-amino-3-methylpentanoate
CID 114341590
(2-ethylcyclohexyl) 3-sulfanylpropanoate
CID 107018376

Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) (2S)-2-amino-3-methylpentanoate?
The IUPAC name of (2-ethylcyclohexyl) (2S)-2-amino-3-methylpentanoate (CID 61277251) is (2-ethylcyclohexyl) (2S)-2-amino-3-methylpentanoate.
What is the SMILES notation for (2-ethylcyclohexyl) (2S)-2-amino-3-methylpentanoate?
The canonical SMILES for (2-ethylcyclohexyl) (2S)-2-amino-3-methylpentanoate is CCC1CCCCC1OC(=O)[C@@H](N)C(C)CC.
What is the InChIKey of (2-ethylcyclohexyl) (2S)-2-amino-3-methylpentanoate?
The InChIKey is GNDBFUFBOCJIGE-SKQCGHHBSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-10(3)13(15)14(16)17-12-9-7-6-8-11(12)5-2/h10-13H,4-9,15H2,1-3H3/t10?,11?,12?,13-/m0/s1.
What are the key properties of (2-ethylcyclohexyl) (2S)-2-amino-3-methylpentanoate?
(2-ethylcyclohexyl) (2S)-2-amino-3-methylpentanoate has a molecular weight of 241.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) (2S)-2-amino-3-methylpentanoate is sourced from PubChem (CID 61277251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).