3-(cyclohexanecarbonylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid

C19H27NO4 — CID 3238267

IUPAC3-(cyclohexanecarbonylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCC(C)Oc1ccc(C(CC(=O)O)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C19H27NO4/c1-13(2)24-16-10-8-14(9-11-16)17(12-18(21)22)20-19(23)15-6-4-3-5-7-15/h8-11,13,15,17H,3-7,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyVFCHVBHBDLYYGY-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.69
Rot. Bonds7

About 3-(cyclohexanecarbonylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid

3-(cyclohexanecarbonylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid (PubChem CID 3238267) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-(cyclohexanecarbonylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(cyclohexanecarbonylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
PubChem CID3238267
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name3-(cyclohexanecarbonylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCC(C)Oc1ccc(C(CC(=O)O)NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C19H27NO4/c1-13(2)24-16-10-8-14(9-11-16)17(12-18(21)22)20-19(23)15-6-4-3-5-7-15/h8-11,13,15,17H,3-7,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyVFCHVBHBDLYYGY-UHFFFAOYSA-N
XLogP3.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.69
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-propan-2-yloxyphenyl)propanoic acid?
The IUPAC name of 3-(cyclohexanecarbonylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid (CID 3238267) is 3-(cyclohexanecarbonylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid.
What is the SMILES notation for 3-(cyclohexanecarbonylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid?
The canonical SMILES for 3-(cyclohexanecarbonylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid is CC(C)Oc1ccc(C(CC(=O)O)NC(=O)C2CCCCC2)cc1.
What is the InChIKey of 3-(cyclohexanecarbonylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid?
The InChIKey is VFCHVBHBDLYYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-13(2)24-16-10-8-14(9-11-16)17(12-18(21)22)20-19(23)15-6-4-3-5-7-15/h8-11,13,15,17H,3-7,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-(cyclohexanecarbonylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid?
3-(cyclohexanecarbonylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid has a molecular weight of 333.43 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonylamino)-3-(4-propan-2-yloxyphenyl)propanoic acid is sourced from PubChem (CID 3238267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).