(2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide

C11H22N2O2 — CID 70364930

IUPAC(2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide
SMILESN[C@@H](CO)C(=O)NCCC1CCCCC1
InChIInChI=1S/C11H22N2O2/c12-10(8-14)11(15)13-7-6-9-4-2-1-3-5-9/h9-10,14H,1-8,12H2,(H,13,15)/t10-/m0/s1
InChIKeyXEPCSEMWNSTOPP-JTQLQIEISA-N
MW214.31 g/mol
LogP0.39
Rot. Bonds5

About (2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide

(2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide (PubChem CID 70364930) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide
PubChem CID70364930
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide
SMILESN[C@@H](CO)C(=O)NCCC1CCCCC1
InChIInChI=1S/C11H22N2O2/c12-10(8-14)11(15)13-7-6-9-4-2-1-3-5-9/h9-10,14H,1-8,12H2,(H,13,15)/t10-/m0/s1
InChIKeyXEPCSEMWNSTOPP-JTQLQIEISA-N
XLogP0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride
CID 154912241
2-amino-N-(2-cyclopentylethyl)-3-hydroxypropanamide
CID 115180115
(2S)-2-amino-N-(2-cyclohexylethyl)-4-methylsulfanylbutanamide
CID 61178313
(2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide
CID 79012516
4-amino-5-(2-cyclopentylethylamino)-5-oxopentanoic acid
CID 64887954
(2S)-2-amino-N-(2-cyclobutylethyl)pentanamide
CID 107570634
2-amino-3-hydroxy-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
CID 115180122
3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride
CID 119725742
(2S)-2-amino-N-(2-cyclobutylethyl)propanamide
CID 103797223
(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
CID 61178134
(2S)-2-amino-N-(3-cyclopentylpropyl)butanamide
CID 103795274
3-(2-cyclohexylethylamino)-2-(methylamino)-3-oxopropanoic acid
CID 115189528

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide?
The IUPAC name of (2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide (CID 70364930) is (2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide?
The canonical SMILES for (2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide is N[C@@H](CO)C(=O)NCCC1CCCCC1.
What is the InChIKey of (2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide?
The InChIKey is XEPCSEMWNSTOPP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O2/c12-10(8-14)11(15)13-7-6-9-4-2-1-3-5-9/h9-10,14H,1-8,12H2,(H,13,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide?
(2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide has a molecular weight of 214.31 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide is sourced from PubChem (CID 70364930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).