7-aminoundecanoic acid

C11H23NO2 — CID 87457372

IUPAC7-aminoundecanoic acid
SMILESCCCCC(N)CCCCCC(=O)O
InChIInChI=1S/C11H23NO2/c1-2-3-7-10(12)8-5-4-6-9-11(13)14/h10H,2-9,12H2,1H3,(H,13,14)
InChIKeyWHHGMBTYPIPQQJ-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.54
Rot. Bonds9

About 7-aminoundecanoic acid

7-aminoundecanoic acid (PubChem CID 87457372) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 7-aminoundecanoic acid.

Molecular Properties

Compound Name7-aminoundecanoic acid
PubChem CID87457372
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name7-aminoundecanoic acid
SMILESCCCCC(N)CCCCCC(=O)O
InChIInChI=1S/C11H23NO2/c1-2-3-7-10(12)8-5-4-6-9-11(13)14/h10H,2-9,12H2,1H3,(H,13,14)
InChIKeyWHHGMBTYPIPQQJ-UHFFFAOYSA-N
XLogP2.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-aminoundecanoic 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

9-aminopentadecanoic acid
CID 87304604
11-aminotetradecanoic acid
CID 87305919
6,12-diaminoheptadecanedioic acid
CID 23455605
4-aminoicosanoic acid
CID 57269724
4-aminooctadecanoic acid
CID 154390224
5-aminododecanedioic acid
CID 3835680
21-hydroxypentacosanoic acid
CID 169277058
bis(hexan-2-amine);hexanedioic acid
CID 174667104
(9R,10R)-9,10-dichlorotetradecanoic acid
CID 101341921
10-hexyloctadecanoic acid
CID 91174619
23-pentylpentatetracontanedioic acid
CID 141048477
acetic acid;heptatriacontan-19-amine
CID 173373447

Frequently Asked Questions

What is the IUPAC name of 7-aminoundecanoic acid?
The IUPAC name of 7-aminoundecanoic acid (CID 87457372) is 7-aminoundecanoic acid.
What is the SMILES notation for 7-aminoundecanoic acid?
The canonical SMILES for 7-aminoundecanoic acid is CCCCC(N)CCCCCC(=O)O.
What is the InChIKey of 7-aminoundecanoic acid?
The InChIKey is WHHGMBTYPIPQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-2-3-7-10(12)8-5-4-6-9-11(13)14/h10H,2-9,12H2,1H3,(H,13,14).
What are the key properties of 7-aminoundecanoic acid?
7-aminoundecanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminoundecanoic acid is sourced from PubChem (CID 87457372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).