3-methyl-2-(2-methylpentanoylamino)butanoic acid

C11H21NO3 — CID 43209765

IUPAC3-methyl-2-(2-methylpentanoylamino)butanoic acid
SMILESCCCC(C)C(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C11H21NO3/c1-5-6-8(4)10(13)12-9(7(2)3)11(14)15/h7-9H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyHHNRWCVGXHEGNF-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.65
Rot. Bonds6

About 3-methyl-2-(2-methylpentanoylamino)butanoic acid

3-methyl-2-(2-methylpentanoylamino)butanoic acid (PubChem CID 43209765) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-methyl-2-(2-methylpentanoylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(2-methylpentanoylamino)butanoic acid
PubChem CID43209765
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-methyl-2-(2-methylpentanoylamino)butanoic acid
SMILESCCCC(C)C(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C11H21NO3/c1-5-6-8(4)10(13)12-9(7(2)3)11(14)15/h7-9H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyHHNRWCVGXHEGNF-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-methyl-2-(2-methylundecanoylamino)butanoic acid
CID 89211028
(2S)-3-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]butanoic acid
CID 79202638
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpentanamide
CID 77038862
2-methyl-N-propan-2-ylpentanamide
CID 4628268
(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
CID 61151739
2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid
CID 119170014
4-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43209722
2-(2,4-dimethylpent-4-enoylamino)-3-methylbutanoic acid
CID 120684429
4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280
(2S)-2-(2-aminohexanoylamino)-3-methylbutanoic acid
CID 61173844
2-(2-decyldodecanoylamino)-3-methylbutanoic acid
CID 175571360
(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid
CID 107565180

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylpentanoylamino)butanoic acid?
The IUPAC name of 3-methyl-2-(2-methylpentanoylamino)butanoic acid (CID 43209765) is 3-methyl-2-(2-methylpentanoylamino)butanoic acid.
What is the SMILES notation for 3-methyl-2-(2-methylpentanoylamino)butanoic acid?
The canonical SMILES for 3-methyl-2-(2-methylpentanoylamino)butanoic acid is CCCC(C)C(=O)NC(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-(2-methylpentanoylamino)butanoic acid?
The InChIKey is HHNRWCVGXHEGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-6-8(4)10(13)12-9(7(2)3)11(14)15/h7-9H,5-6H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 3-methyl-2-(2-methylpentanoylamino)butanoic acid?
3-methyl-2-(2-methylpentanoylamino)butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylpentanoylamino)butanoic acid is sourced from PubChem (CID 43209765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).