4-(2-methylpentanoylamino)butanoic acid

C10H19NO3 — CID 43209777

IUPAC4-(2-methylpentanoylamino)butanoic acid
SMILESCCCC(C)C(=O)NCCCC(=O)O
InChIInChI=1S/C10H19NO3/c1-3-5-8(2)10(14)11-7-4-6-9(12)13/h8H,3-7H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyNKLAQLLIANSGKF-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.40
Rot. Bonds7

About 4-(2-methylpentanoylamino)butanoic acid

4-(2-methylpentanoylamino)butanoic acid (PubChem CID 43209777) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(2-methylpentanoylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-methylpentanoylamino)butanoic acid
PubChem CID43209777
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-(2-methylpentanoylamino)butanoic acid
SMILESCCCC(C)C(=O)NCCCC(=O)O
InChIInChI=1S/C10H19NO3/c1-3-5-8(2)10(14)11-7-4-6-9(12)13/h8H,3-7H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyNKLAQLLIANSGKF-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(2-methylbutanoylamino)heptanoic acid
CID 24690343
4-(pentan-2-ylcarbamoylamino)butanoic acid
CID 61181859
7-[(4-amino-2-methylbutanoyl)amino]heptanoic acid
CID 80543842
3-[methyl-[2-(2-methylpentanoylamino)ethylcarbamoyl]amino]propanoic acid
CID 122015297
7-(2-propylpentanoylamino)heptanoic acid
CID 82985548
4-(2,4-dimethylpent-4-enoylamino)butanoic acid
CID 120684446
4-(2-aminohexanoylamino)butanoic acid
CID 61157473
4-(pentylcarbamoylamino)butanoic acid
CID 28511535
2-methyl-N-[2-(methylamino)ethyl]pentanamide
CID 62659666
7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
CID 103869350
6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103868717
2-methyl-N-nonyldecanamide
CID 141429494

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpentanoylamino)butanoic acid?
The IUPAC name of 4-(2-methylpentanoylamino)butanoic acid (CID 43209777) is 4-(2-methylpentanoylamino)butanoic acid.
What is the SMILES notation for 4-(2-methylpentanoylamino)butanoic acid?
The canonical SMILES for 4-(2-methylpentanoylamino)butanoic acid is CCCC(C)C(=O)NCCCC(=O)O.
What is the InChIKey of 4-(2-methylpentanoylamino)butanoic acid?
The InChIKey is NKLAQLLIANSGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-5-8(2)10(14)11-7-4-6-9(12)13/h8H,3-7H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 4-(2-methylpentanoylamino)butanoic acid?
4-(2-methylpentanoylamino)butanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpentanoylamino)butanoic acid is sourced from PubChem (CID 43209777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).