3-[(2-methylidenecyclohexyl)amino]propanoic acid

C10H17NO2 — CID 123385991

IUPAC3-[(2-methylidenecyclohexyl)amino]propanoic acid
SMILESC=C1CCCCC1NCCC(=O)O
InChIInChI=1S/C10H17NO2/c1-8-4-2-3-5-9(8)11-7-6-10(12)13/h9,11H,1-7H2,(H,12,13)
InChIKeyJSCFACCJLLGNIN-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.55
Rot. Bonds4

About 3-[(2-methylidenecyclohexyl)amino]propanoic acid

3-[(2-methylidenecyclohexyl)amino]propanoic acid (PubChem CID 123385991) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-[(2-methylidenecyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-methylidenecyclohexyl)amino]propanoic acid
PubChem CID123385991
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-[(2-methylidenecyclohexyl)amino]propanoic acid
SMILESC=C1CCCCC1NCCC(=O)O
InChIInChI=1S/C10H17NO2/c1-8-4-2-3-5-9(8)11-7-6-10(12)13/h9,11H,1-7H2,(H,12,13)
InChIKeyJSCFACCJLLGNIN-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylidenecyclohexyl)amino]propanoic acid?
The IUPAC name of 3-[(2-methylidenecyclohexyl)amino]propanoic acid (CID 123385991) is 3-[(2-methylidenecyclohexyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-methylidenecyclohexyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-methylidenecyclohexyl)amino]propanoic acid is C=C1CCCCC1NCCC(=O)O.
What is the InChIKey of 3-[(2-methylidenecyclohexyl)amino]propanoic acid?
The InChIKey is JSCFACCJLLGNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8-4-2-3-5-9(8)11-7-6-10(12)13/h9,11H,1-7H2,(H,12,13).
What are the key properties of 3-[(2-methylidenecyclohexyl)amino]propanoic acid?
3-[(2-methylidenecyclohexyl)amino]propanoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylidenecyclohexyl)amino]propanoic acid is sourced from PubChem (CID 123385991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).