2-(2-aminobutyl)heptanoic acid

C11H23NO2 — CID 87319063

IUPAC2-(2-aminobutyl)heptanoic acid
SMILESCCCCCC(CC(N)CC)C(=O)O
InChIInChI=1S/C11H23NO2/c1-3-5-6-7-9(11(13)14)8-10(12)4-2/h9-10H,3-8,12H2,1-2H3,(H,13,14)
InChIKeySSOVTKGJXRKOQW-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.39
Rot. Bonds8

About 2-(2-aminobutyl)heptanoic acid

2-(2-aminobutyl)heptanoic acid (PubChem CID 87319063) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(2-aminobutyl)heptanoic acid.

Molecular Properties

Compound Name2-(2-aminobutyl)heptanoic acid
PubChem CID87319063
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-(2-aminobutyl)heptanoic acid
SMILESCCCCCC(CC(N)CC)C(=O)O
InChIInChI=1S/C11H23NO2/c1-3-5-6-7-9(11(13)14)8-10(12)4-2/h9-10H,3-8,12H2,1-2H3,(H,13,14)
InChIKeySSOVTKGJXRKOQW-UHFFFAOYSA-N
XLogP2.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.39
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutyl)heptanoic acid?
The IUPAC name of 2-(2-aminobutyl)heptanoic acid (CID 87319063) is 2-(2-aminobutyl)heptanoic acid.
What is the SMILES notation for 2-(2-aminobutyl)heptanoic acid?
The canonical SMILES for 2-(2-aminobutyl)heptanoic acid is CCCCCC(CC(N)CC)C(=O)O.
What is the InChIKey of 2-(2-aminobutyl)heptanoic acid?
The InChIKey is SSOVTKGJXRKOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-5-6-7-9(11(13)14)8-10(12)4-2/h9-10H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-aminobutyl)heptanoic acid?
2-(2-aminobutyl)heptanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutyl)heptanoic acid is sourced from PubChem (CID 87319063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).