2-benzamido-3-cyclohexylpropanoic acid

C16H21NO3 — CID 10333607

IUPAC2-benzamido-3-cyclohexylpropanoic acid
SMILESO=C(NC(CC1CCCCC1)C(=O)O)c1ccccc1
InChIInChI=1S/C16H21NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h2,5-6,9-10,12,14H,1,3-4,7-8,11H2,(H,17,18)(H,19,20)
InChIKeyUDKXGPFCAYZUJT-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.84
Rot. Bonds5

About 2-benzamido-3-cyclohexylpropanoic acid

2-benzamido-3-cyclohexylpropanoic acid (PubChem CID 10333607) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-benzamido-3-cyclohexylpropanoic acid.

Molecular Properties

Compound Name2-benzamido-3-cyclohexylpropanoic acid
PubChem CID10333607
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-benzamido-3-cyclohexylpropanoic acid
SMILESO=C(NC(CC1CCCCC1)C(=O)O)c1ccccc1
InChIInChI=1S/C16H21NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h2,5-6,9-10,12,14H,1,3-4,7-8,11H2,(H,17,18)(H,19,20)
InChIKeyUDKXGPFCAYZUJT-UHFFFAOYSA-N
XLogP2.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-3-cyclohexylpropanoic acid?
The IUPAC name of 2-benzamido-3-cyclohexylpropanoic acid (CID 10333607) is 2-benzamido-3-cyclohexylpropanoic acid.
What is the SMILES notation for 2-benzamido-3-cyclohexylpropanoic acid?
The canonical SMILES for 2-benzamido-3-cyclohexylpropanoic acid is O=C(NC(CC1CCCCC1)C(=O)O)c1ccccc1.
What is the InChIKey of 2-benzamido-3-cyclohexylpropanoic acid?
The InChIKey is UDKXGPFCAYZUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h2,5-6,9-10,12,14H,1,3-4,7-8,11H2,(H,17,18)(H,19,20).
What are the key properties of 2-benzamido-3-cyclohexylpropanoic acid?
2-benzamido-3-cyclohexylpropanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-3-cyclohexylpropanoic acid is sourced from PubChem (CID 10333607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).