(2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide

C11H22N2O2 — CID 18652043

IUPAC(2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide
SMILESCC(C)CC(=O)NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C11H22N2O2/c1-7(2)5-9(12)11(15)13-10(14)6-8(3)4/h7-9H,5-6,12H2,1-4H3,(H,13,14,15)/t9-/m0/s1
InChIKeyQQTWSGBUMXCNAA-VIFPVBQESA-N
MW214.31 g/mol
LogP1.05
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide

(2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide (PubChem CID 18652043) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide
PubChem CID18652043
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide
SMILESCC(C)CC(=O)NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C11H22N2O2/c1-7(2)5-9(12)11(15)13-10(14)6-8(3)4/h7-9H,5-6,12H2,1-4H3,(H,13,14,15)/t9-/m0/s1
InChIKeyQQTWSGBUMXCNAA-VIFPVBQESA-N
XLogP1.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-butanoyl-4-methylpentanamide
CID 150853762
(2R)-2-amino-N-hydroxy-4-methylpentanamide
CID 6951121
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
CID 107852753
N-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide
CID 170202980
(3S,4S)-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxy-6-methylheptanoic acid
CID 88665450
(2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide
CID 103812202
(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 175421037
2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide
CID 106235612
(2R)-2-amino-4-methyl-N-(1-methylcyclobutyl)pentanamide
CID 104904023
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
(2S)-2-amino-4-methylpentanehydrazide;bromo hypobromite
CID 158164073
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide (CID 18652043) is (2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide is CC(C)CC(=O)NC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide?
The InChIKey is QQTWSGBUMXCNAA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O2/c1-7(2)5-9(12)11(15)13-10(14)6-8(3)4/h7-9H,5-6,12H2,1-4H3,(H,13,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide?
(2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide has a molecular weight of 214.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide is sourced from PubChem (CID 18652043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).