3-amino-3-cyclohexylpropanoic acid

C9H17NO2 — CID 2733681

IUPAC3-amino-3-cyclohexylpropanoic acid
SMILESNC(CC(=O)O)C1CCCCC1
InChIInChI=1S/C9H17NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)
InChIKeyXGRSAFKZAGGXJV-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.37
Rot. Bonds3

About 3-amino-3-cyclohexylpropanoic acid

3-amino-3-cyclohexylpropanoic acid (PubChem CID 2733681) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-amino-3-cyclohexylpropanoic acid.

Molecular Properties

Compound Name3-amino-3-cyclohexylpropanoic acid
PubChem CID2733681
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-amino-3-cyclohexylpropanoic acid
SMILESNC(CC(=O)O)C1CCCCC1
InChIInChI=1S/C9H17NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)
InChIKeyXGRSAFKZAGGXJV-UHFFFAOYSA-N
XLogP1.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclohexylpropanoic acid?
The IUPAC name of 3-amino-3-cyclohexylpropanoic acid (CID 2733681) is 3-amino-3-cyclohexylpropanoic acid.
What is the SMILES notation for 3-amino-3-cyclohexylpropanoic acid?
The canonical SMILES for 3-amino-3-cyclohexylpropanoic acid is NC(CC(=O)O)C1CCCCC1.
What is the InChIKey of 3-amino-3-cyclohexylpropanoic acid?
The InChIKey is XGRSAFKZAGGXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12).
What are the key properties of 3-amino-3-cyclohexylpropanoic acid?
3-amino-3-cyclohexylpropanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclohexylpropanoic acid is sourced from PubChem (CID 2733681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).