3-(cyclohexanecarbonylamino)-3-(4-methoxyphenyl)propanoic acid

C17H23NO4 — CID 3239143

IUPAC3-(cyclohexanecarbonylamino)-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H23NO4/c1-22-14-9-7-12(8-10-14)15(11-16(19)20)18-17(21)13-5-3-2-4-6-13/h7-10,13,15H,2-6,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyZTILEOWHXUWDRX-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.91
Rot. Bonds6

About 3-(cyclohexanecarbonylamino)-3-(4-methoxyphenyl)propanoic acid

3-(cyclohexanecarbonylamino)-3-(4-methoxyphenyl)propanoic acid (PubChem CID 3239143) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-(cyclohexanecarbonylamino)-3-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(cyclohexanecarbonylamino)-3-(4-methoxyphenyl)propanoic acid
PubChem CID3239143
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name3-(cyclohexanecarbonylamino)-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc(C(CC(=O)O)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C17H23NO4/c1-22-14-9-7-12(8-10-14)15(11-16(19)20)18-17(21)13-5-3-2-4-6-13/h7-10,13,15H,2-6,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyZTILEOWHXUWDRX-UHFFFAOYSA-N
XLogP2.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonylamino)-3-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 3-(cyclohexanecarbonylamino)-3-(4-methoxyphenyl)propanoic acid (CID 3239143) is 3-(cyclohexanecarbonylamino)-3-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(cyclohexanecarbonylamino)-3-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-(cyclohexanecarbonylamino)-3-(4-methoxyphenyl)propanoic acid is COc1ccc(C(CC(=O)O)NC(=O)C2CCCCC2)cc1.
What is the InChIKey of 3-(cyclohexanecarbonylamino)-3-(4-methoxyphenyl)propanoic acid?
The InChIKey is ZTILEOWHXUWDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-22-14-9-7-12(8-10-14)15(11-16(19)20)18-17(21)13-5-3-2-4-6-13/h7-10,13,15H,2-6,11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-(cyclohexanecarbonylamino)-3-(4-methoxyphenyl)propanoic acid?
3-(cyclohexanecarbonylamino)-3-(4-methoxyphenyl)propanoic acid has a molecular weight of 305.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonylamino)-3-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 3239143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).