4-(butanoylamino)-4-methylpentanoic acid

C10H19NO3 — CID 62041318

IUPAC4-(butanoylamino)-4-methylpentanoic acid
SMILESCCCC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C10H19NO3/c1-4-5-8(12)11-10(2,3)7-6-9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyOIJZWYRVTYBYLN-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.55
Rot. Bonds6

About 4-(butanoylamino)-4-methylpentanoic acid

4-(butanoylamino)-4-methylpentanoic acid (PubChem CID 62041318) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(butanoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(butanoylamino)-4-methylpentanoic acid
PubChem CID62041318
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-(butanoylamino)-4-methylpentanoic acid
SMILESCCCC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C10H19NO3/c1-4-5-8(12)11-10(2,3)7-6-9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyOIJZWYRVTYBYLN-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-4-methylpentanoic acid?
The IUPAC name of 4-(butanoylamino)-4-methylpentanoic acid (CID 62041318) is 4-(butanoylamino)-4-methylpentanoic acid.
What is the SMILES notation for 4-(butanoylamino)-4-methylpentanoic acid?
The canonical SMILES for 4-(butanoylamino)-4-methylpentanoic acid is CCCC(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-(butanoylamino)-4-methylpentanoic acid?
The InChIKey is OIJZWYRVTYBYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-5-8(12)11-10(2,3)7-6-9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 4-(butanoylamino)-4-methylpentanoic acid?
4-(butanoylamino)-4-methylpentanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 62041318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).