3-[(2,3-dimethylcyclohexyl)amino]propanoic acid

C11H21NO2 — CID 43084535

IUPAC3-[(2,3-dimethylcyclohexyl)amino]propanoic acid
SMILESCC1CCCC(NCCC(=O)O)C1C
InChIInChI=1S/C11H21NO2/c1-8-4-3-5-10(9(8)2)12-7-6-11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyVLKXMCMIPRTIRY-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds4

About 3-[(2,3-dimethylcyclohexyl)amino]propanoic acid

3-[(2,3-dimethylcyclohexyl)amino]propanoic acid (PubChem CID 43084535) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-[(2,3-dimethylcyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2,3-dimethylcyclohexyl)amino]propanoic acid
PubChem CID43084535
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-[(2,3-dimethylcyclohexyl)amino]propanoic acid
SMILESCC1CCCC(NCCC(=O)O)C1C
InChIInChI=1S/C11H21NO2/c1-8-4-3-5-10(9(8)2)12-7-6-11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyVLKXMCMIPRTIRY-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylcyclohexyl)amino]propanoic acid?
The IUPAC name of 3-[(2,3-dimethylcyclohexyl)amino]propanoic acid (CID 43084535) is 3-[(2,3-dimethylcyclohexyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2,3-dimethylcyclohexyl)amino]propanoic acid?
The canonical SMILES for 3-[(2,3-dimethylcyclohexyl)amino]propanoic acid is CC1CCCC(NCCC(=O)O)C1C.
What is the InChIKey of 3-[(2,3-dimethylcyclohexyl)amino]propanoic acid?
The InChIKey is VLKXMCMIPRTIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-4-3-5-10(9(8)2)12-7-6-11(13)14/h8-10,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-[(2,3-dimethylcyclohexyl)amino]propanoic acid?
3-[(2,3-dimethylcyclohexyl)amino]propanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylcyclohexyl)amino]propanoic acid is sourced from PubChem (CID 43084535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).