4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid

C11H22N2O3 — CID 80540178

IUPAC4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid
SMILESCCC(C)C(N)C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-7(2)9(12)10(14)13-6-5-8(3)11(15)16/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeySJFAUYDLHVSPFM-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.59
Rot. Bonds7

About 4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid

4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid (PubChem CID 80540178) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid
PubChem CID80540178
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid
SMILESCCC(C)C(N)C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-7(2)9(12)10(14)13-6-5-8(3)11(15)16/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)
InChIKeySJFAUYDLHVSPFM-UHFFFAOYSA-N
XLogP0.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-[(2-amino-3-methylpentanoyl)amino]-2-hydroxybutanoic acid
CID 107836409
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid
CID 62669365
4-(2-aminobutanoylamino)-2-methylbutanoic acid
CID 80539879
2-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]butanoic acid
CID 65224036
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
(2S)-3-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-hydroxypropanoic acid
CID 107835948
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoic acid;dihydrochloride
CID 160584478
5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid
CID 115867248
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid?
The IUPAC name of 4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid (CID 80540178) is 4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid is CCC(C)C(N)C(=O)NCCC(C)C(=O)O.
What is the InChIKey of 4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid?
The InChIKey is SJFAUYDLHVSPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-7(2)9(12)10(14)13-6-5-8(3)11(15)16/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid?
4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-methylpentanoyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 80540178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).