(2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide

C12H26N2O2 — CID 104903746

IUPAC(2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide
SMILESCCC(CCO)CNC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-4-10(5-6-15)8-14-12(16)11(13)7-9(2)3/h9-11,15H,4-8,13H2,1-3H3,(H,14,16)/t10?,11-/m1/s1
InChIKeyJPYGAJJOZDPYKL-RRKGBCIJSA-N
MW230.35 g/mol
LogP0.88
Rot. Bonds8

About (2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide

(2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide (PubChem CID 104903746) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide
PubChem CID104903746
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name(2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide
SMILESCCC(CCO)CNC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-4-10(5-6-15)8-14-12(16)11(13)7-9(2)3/h9-11,15H,4-8,13H2,1-3H3,(H,14,16)/t10?,11-/m1/s1
InChIKeyJPYGAJJOZDPYKL-RRKGBCIJSA-N
XLogP0.88
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide;hydrochloride
CID 119790717
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylpentanamide
CID 119817789
(2R)-2-amino-N-(2-hydroxybutyl)-4-methylpentanamide
CID 104904032
3-[[(2-amino-4-methylpentanoyl)amino]methyl]-5-methylheptanoic acid
CID 11185289
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119343091
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
(2S)-2-amino-N-(3-ethyl-2-hydroxypentyl)-4-methylpentanamide;hydrochloride
CID 119783564
3-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]-5-methylhexanoic acid
CID 104903629
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-methylpropanamide
CID 111662419
(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride
CID 119327618
2-amino-N-(2-ethyl-4-hydroxybutyl)-3-(4-hydroxyphenyl)propanamide
CID 114350596
(2S)-2-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119817764

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide (CID 104903746) is (2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide is CCC(CCO)CNC(=O)[C@H](N)CC(C)C.
What is the InChIKey of (2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide?
The InChIKey is JPYGAJJOZDPYKL-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-4-10(5-6-15)8-14-12(16)11(13)7-9(2)3/h9-11,15H,4-8,13H2,1-3H3,(H,14,16)/t10?,11-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide?
(2R)-2-amino-N-(2-ethyl-4-hydroxybutyl)-4-methylpentanamide has a molecular weight of 230.35 g/mol, XLogP of 0.88, 8 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-ethyl-4-hydroxybutyl)-4-methylpentanamide is sourced from PubChem (CID 104903746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).