(2S)-2-amino-N-butanoyl-4-methylpentanamide

C10H20N2O2 — CID 150853762

IUPAC(2S)-2-amino-N-butanoyl-4-methylpentanamide
SMILESCCCC(=O)NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C10H20N2O2/c1-4-5-9(13)12-10(14)8(11)6-7(2)3/h7-8H,4-6,11H2,1-3H3,(H,12,13,14)/t8-/m0/s1
InChIKeyKQOLUHIIFZWZPN-QMMMGPOBSA-N
MW200.28 g/mol
LogP0.80
Rot. Bonds5

About (2S)-2-amino-N-butanoyl-4-methylpentanamide

(2S)-2-amino-N-butanoyl-4-methylpentanamide (PubChem CID 150853762) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S)-2-amino-N-butanoyl-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-butanoyl-4-methylpentanamide
PubChem CID150853762
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2S)-2-amino-N-butanoyl-4-methylpentanamide
SMILESCCCC(=O)NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C10H20N2O2/c1-4-5-9(13)12-10(14)8(11)6-7(2)3/h7-8H,4-6,11H2,1-3H3,(H,12,13,14)/t8-/m0/s1
InChIKeyKQOLUHIIFZWZPN-QMMMGPOBSA-N
XLogP0.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide
CID 18652043
(2S)-2-amino-4-methyl-N-oct-4-en-4-ylpentanamide
CID 91133478
[(2R,3R,4S,5R)-6-(butanoylamino)-2,3,4,5-tetrahydroxy-6-oxohexyl] (2S)-2-amino-4-methylpentanoate
CID 169087231
(2R)-2-amino-N-hydroxy-4-methylpentanamide
CID 6951121
(2S)-2-amino-N-[[4-(butanoylamino)phenyl]methyl]-4-methylpentanamide
CID 119723638
2-amino-4-methylpentanoic acid;butanoic acid
CID 175118720
2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide
CID 19826425
(2S)-2-amino-N-[[4-(butanoylamino)phenyl]methyl]-4-methylpentanamide;hydrochloride
CID 119723637
4-amino-2-methyltetradecan-5-one
CID 116553430
N-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide
CID 170202980
(2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide
CID 104903603
(2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride
CID 119703887

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-butanoyl-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-butanoyl-4-methylpentanamide (CID 150853762) is (2S)-2-amino-N-butanoyl-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-butanoyl-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-butanoyl-4-methylpentanamide is CCCC(=O)NC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-butanoyl-4-methylpentanamide?
The InChIKey is KQOLUHIIFZWZPN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-5-9(13)12-10(14)8(11)6-7(2)3/h7-8H,4-6,11H2,1-3H3,(H,12,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-butanoyl-4-methylpentanamide?
(2S)-2-amino-N-butanoyl-4-methylpentanamide has a molecular weight of 200.28 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-butanoyl-4-methylpentanamide is sourced from PubChem (CID 150853762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).