2-[(2-methylcyclohexyl)amino]propanoic acid

C10H19NO2 — CID 18432406

IUPAC2-[(2-methylcyclohexyl)amino]propanoic acid
SMILESCC(NC1CCCCC1C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7-5-3-4-6-9(7)11-8(2)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeySXPVPPRGUOWJND-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.63
Rot. Bonds3

About 2-[(2-methylcyclohexyl)amino]propanoic acid

2-[(2-methylcyclohexyl)amino]propanoic acid (PubChem CID 18432406) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(2-methylcyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-methylcyclohexyl)amino]propanoic acid
PubChem CID18432406
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[(2-methylcyclohexyl)amino]propanoic acid
SMILESCC(NC1CCCCC1C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-7-5-3-4-6-9(7)11-8(2)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeySXPVPPRGUOWJND-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclohexyl)amino]propanoic acid?
The IUPAC name of 2-[(2-methylcyclohexyl)amino]propanoic acid (CID 18432406) is 2-[(2-methylcyclohexyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-methylcyclohexyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-methylcyclohexyl)amino]propanoic acid is CC(NC1CCCCC1C)C(=O)O.
What is the InChIKey of 2-[(2-methylcyclohexyl)amino]propanoic acid?
The InChIKey is SXPVPPRGUOWJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7-5-3-4-6-9(7)11-8(2)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[(2-methylcyclohexyl)amino]propanoic acid?
2-[(2-methylcyclohexyl)amino]propanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclohexyl)amino]propanoic acid is sourced from PubChem (CID 18432406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).