(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide

C14H30N2O2 — CID 119817789

IUPAC(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide
SMILESCC(C)CC(CCO)CNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H30N2O2/c1-10(2)7-12(5-6-17)9-16-14(18)13(15)8-11(3)4/h10-13,17H,5-9,15H2,1-4H3,(H,16,18)/t12?,13-/m0/s1
InChIKeyFOEMUCQIQOIHJG-ABLWVSNPSA-N
MW258.41 g/mol
LogP1.52
Rot. Bonds9

About (2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide

(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide (PubChem CID 119817789) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide
PubChem CID119817789
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide
SMILESCC(C)CC(CCO)CNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H30N2O2/c1-10(2)7-12(5-6-17)9-16-14(18)13(15)8-11(3)4/h10-13,17H,5-9,15H2,1-4H3,(H,16,18)/t12?,13-/m0/s1
InChIKeyFOEMUCQIQOIHJG-ABLWVSNPSA-N
XLogP1.52
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide
CID 104903746
(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride
CID 119790717
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119343091
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide
CID 111662419
3-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]-5-methylhexanoic acid
CID 104903629
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119817764
1-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-methylpropyl)urea
CID 111503800
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
(2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide
CID 88667653
(2R)-2-amino-N-(2-hydroxybutyl)-4-methylpentanamide
CID 104904032
1-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopropane-1-carboxamide
CID 119817743
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide (CID 119817789) is (2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide is CC(C)CC(CCO)CNC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide?
The InChIKey is FOEMUCQIQOIHJG-ABLWVSNPSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-10(2)7-12(5-6-17)9-16-14(18)13(15)8-11(3)4/h10-13,17H,5-9,15H2,1-4H3,(H,16,18)/t12?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide?
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide has a molecular weight of 258.41 g/mol, XLogP of 1.52, 9 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-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide is sourced from PubChem (CID 119817789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).