6-(butylamino)-6-oxohexanoic acid

C10H19NO3 — CID 43529485

IUPAC6-(butylamino)-6-oxohexanoic acid
SMILESCCCCNC(=O)CCCCC(=O)O
InChIInChI=1S/C10H19NO3/c1-2-3-8-11-9(12)6-4-5-7-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14)
InChIKeyHJRVIAMDGIAEFX-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.55
Rot. Bonds8

About 6-(butylamino)-6-oxohexanoic acid

6-(butylamino)-6-oxohexanoic acid (PubChem CID 43529485) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-(butylamino)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(butylamino)-6-oxohexanoic acid
PubChem CID43529485
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name6-(butylamino)-6-oxohexanoic acid
SMILESCCCCNC(=O)CCCCC(=O)O
InChIInChI=1S/C10H19NO3/c1-2-3-8-11-9(12)6-4-5-7-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14)
InChIKeyHJRVIAMDGIAEFX-UHFFFAOYSA-N
XLogP1.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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

Computed Properties (RDKit)

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

Analyze 6-(butylamino)-6-oxohexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(hexylamino)-6-oxohexanoic acid
CID 22448385
3-[[13-(butylamino)-13-oxotridecanoyl]amino]propanoic acid
CID 170549124
4-(tridecanoylamino)butanoic acid
CID 164851630
11-(dodecanoylamino)undecanoic acid
CID 4163254
16-(butanoylamino)hexadecanoic acid
CID 118711043
3-(docosanoylamino)propanoic acid
CID 45357432
3-(tetradecanoylamino)propanoic acid
CID 3662949
2-[[15-(butylamino)-15-oxopentadecyl]amino]acetic acid
CID 175446512
2-[[10-(butylamino)-10-oxodecyl]amino]acetic acid
CID 175230910
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
3-(dodecanoylamino)propanoic acid;zinc
CID 87141829

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-6-oxohexanoic acid?
The IUPAC name of 6-(butylamino)-6-oxohexanoic acid (CID 43529485) is 6-(butylamino)-6-oxohexanoic acid.
What is the SMILES notation for 6-(butylamino)-6-oxohexanoic acid?
The canonical SMILES for 6-(butylamino)-6-oxohexanoic acid is CCCCNC(=O)CCCCC(=O)O.
What is the InChIKey of 6-(butylamino)-6-oxohexanoic acid?
The InChIKey is HJRVIAMDGIAEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-3-8-11-9(12)6-4-5-7-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 6-(butylamino)-6-oxohexanoic acid?
6-(butylamino)-6-oxohexanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-6-oxohexanoic acid is sourced from PubChem (CID 43529485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).