(2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride

C13H27ClN2O2 — CID 154912241

IUPAC(2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride
SMILESCl.N[C@H](CO)C(=O)NCCC1CCCCCCC1
InChIInChI=1S/C13H26N2O2.ClH/c14-12(10-16)13(17)15-9-8-11-6-4-2-1-3-5-7-11;/h11-12,16H,1-10,14H2,(H,15,17);1H/t12-;/m1./s1
InChIKeyUHNVAUONYQFYIM-UTONKHPSSA-N
MW278.82 g/mol
LogP1.59
Rot. Bonds5

About (2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride

(2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride (PubChem CID 154912241) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride
PubChem CID154912241
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Name(2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride
SMILESCl.N[C@H](CO)C(=O)NCCC1CCCCCCC1
InChIInChI=1S/C13H26N2O2.ClH/c14-12(10-16)13(17)15-9-8-11-6-4-2-1-3-5-7-11;/h11-12,16H,1-10,14H2,(H,15,17);1H/t12-;/m1./s1
InChIKeyUHNVAUONYQFYIM-UTONKHPSSA-N
XLogP1.59
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide
CID 70364930
2-amino-N-(2-cyclopentylethyl)-3-hydroxypropanamide
CID 115180115
3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride
CID 119725742
(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
(2S)-2-amino-N-(2-cyclobutylethyl)propanamide
CID 103797223
(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
CID 61178134
(2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride
CID 119289813
2-amino-N-(2-cyclohexylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787635

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride (CID 154912241) is (2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride is Cl.N[C@H](CO)C(=O)NCCC1CCCCCCC1.
What is the InChIKey of (2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride?
The InChIKey is UHNVAUONYQFYIM-UTONKHPSSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c14-12(10-16)13(17)15-9-8-11-6-4-2-1-3-5-7-11;/h11-12,16H,1-10,14H2,(H,15,17);1H/t12-;/m1./s1.
What are the key properties of (2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride?
(2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride is sourced from PubChem (CID 154912241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).