2-(octan-4-ylamino)butanoic acid

C12H25NO2 — CID 106019964

IUPAC2-(octan-4-ylamino)butanoic acid
SMILESCCCCC(CCC)NC(CC)C(=O)O
InChIInChI=1S/C12H25NO2/c1-4-7-9-10(8-5-2)13-11(6-3)12(14)15/h10-11,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyFUQKDEULPKZHIG-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.80
Rot. Bonds9

About 2-(octan-4-ylamino)butanoic acid

2-(octan-4-ylamino)butanoic acid (PubChem CID 106019964) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-(octan-4-ylamino)butanoic acid.

Molecular Properties

Compound Name2-(octan-4-ylamino)butanoic acid
PubChem CID106019964
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-(octan-4-ylamino)butanoic acid
SMILESCCCCC(CCC)NC(CC)C(=O)O
InChIInChI=1S/C12H25NO2/c1-4-7-9-10(8-5-2)13-11(6-3)12(14)15/h10-11,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyFUQKDEULPKZHIG-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(octan-4-ylamino)butanoic 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

2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-(pentan-2-ylamino)hexanoic acid
CID 103231809
2-(1-phenylpentan-2-ylamino)hexanoic acid
CID 122039601
2-(octan-4-ylamino)propanamide
CID 103776431
2-methyl-3-(octan-4-ylamino)-3-oxopropanoic acid
CID 106021991
2-(dodecan-6-ylamino)-6-oxohexanoic acid
CID 139934879
N-nonan-5-ylnonan-5-amine
CID 86205180
2-(methoxyamino)hexanoic acid
CID 103254320
2-(hex-1-yn-3-ylamino)butanoic acid
CID 106227356
(2R)-2-amino-N-octan-4-ylbutanamide
CID 104878219
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
(2S)-2-[[(2S)-2-butylheptanoyl]amino]butanoic acid
CID 87898697

Frequently Asked Questions

What is the IUPAC name of 2-(octan-4-ylamino)butanoic acid?
The IUPAC name of 2-(octan-4-ylamino)butanoic acid (CID 106019964) is 2-(octan-4-ylamino)butanoic acid.
What is the SMILES notation for 2-(octan-4-ylamino)butanoic acid?
The canonical SMILES for 2-(octan-4-ylamino)butanoic acid is CCCCC(CCC)NC(CC)C(=O)O.
What is the InChIKey of 2-(octan-4-ylamino)butanoic acid?
The InChIKey is FUQKDEULPKZHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-7-9-10(8-5-2)13-11(6-3)12(14)15/h10-11,13H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-(octan-4-ylamino)butanoic acid?
2-(octan-4-ylamino)butanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octan-4-ylamino)butanoic acid is sourced from PubChem (CID 106019964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).