3-[cycloheptyl(heptyl)amino]propanoic acid

C17H33NO2 — CID 82328773

IUPAC3-[cycloheptyl(heptyl)amino]propanoic acid
SMILESCCCCCCCN(CCC(=O)O)C1CCCCCC1
InChIInChI=1S/C17H33NO2/c1-2-3-4-7-10-14-18(15-13-17(19)20)16-11-8-5-6-9-12-16/h16H,2-15H2,1H3,(H,19,20)
InChIKeyMXMDESYVPIDFRX-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.46
Rot. Bonds10

About 3-[cycloheptyl(heptyl)amino]propanoic acid

3-[cycloheptyl(heptyl)amino]propanoic acid (PubChem CID 82328773) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-[cycloheptyl(heptyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cycloheptyl(heptyl)amino]propanoic acid
PubChem CID82328773
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name3-[cycloheptyl(heptyl)amino]propanoic acid
SMILESCCCCCCCN(CCC(=O)O)C1CCCCCC1
InChIInChI=1S/C17H33NO2/c1-2-3-4-7-10-14-18(15-13-17(19)20)16-11-8-5-6-9-12-16/h16H,2-15H2,1H3,(H,19,20)
InChIKeyMXMDESYVPIDFRX-UHFFFAOYSA-N
XLogP4.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[cycloheptyl(heptyl)amino]propanoic 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

3-[cyclopropyl(dodecyl)amino]propanoic acid
CID 62065004
4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid
CID 82330575
2-[cyclopentyl(nonyl)amino]acetic acid
CID 60835084
3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid
CID 82330378
3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
CID 82330129
2-[cyclopentyl(octyl)amino]ethanol
CID 62015443
3-[cycloheptyl(hexyl)amino]-2-methylpropanoic acid
CID 82328405
N'-cyclohexyl-N'-hexylethane-1,2-diamine
CID 63760462
N'-cyclohexyl-N'-heptylpropane-1,3-diamine
CID 43137640
3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
CID 82328845
N-cyclohexyl-N-methylcyclohexanamine;hexanoic acid
CID 173099176
3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
CID 82329101

Frequently Asked Questions

What is the IUPAC name of 3-[cycloheptyl(heptyl)amino]propanoic acid?
The IUPAC name of 3-[cycloheptyl(heptyl)amino]propanoic acid (CID 82328773) is 3-[cycloheptyl(heptyl)amino]propanoic acid.
What is the SMILES notation for 3-[cycloheptyl(heptyl)amino]propanoic acid?
The canonical SMILES for 3-[cycloheptyl(heptyl)amino]propanoic acid is CCCCCCCN(CCC(=O)O)C1CCCCCC1.
What is the InChIKey of 3-[cycloheptyl(heptyl)amino]propanoic acid?
The InChIKey is MXMDESYVPIDFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-2-3-4-7-10-14-18(15-13-17(19)20)16-11-8-5-6-9-12-16/h16H,2-15H2,1H3,(H,19,20).
What are the key properties of 3-[cycloheptyl(heptyl)amino]propanoic acid?
3-[cycloheptyl(heptyl)amino]propanoic acid has a molecular weight of 283.46 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cycloheptyl(heptyl)amino]propanoic acid is sourced from PubChem (CID 82328773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).