3-[(4-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid

C17H23NO4 — CID 579629

IUPAC3-[(4-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)C2CCC(C)(C(=O)O)C2(C)C)cc1
InChIInChI=1S/C17H23NO4/c1-16(2)13(9-10-17(16,3)15(20)21)14(19)18-11-5-7-12(22-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyQPYTVMVVJQQGBR-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.16
Rot. Bonds4

About 3-[(4-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid

3-[(4-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid (PubChem CID 579629) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
PubChem CID579629
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name3-[(4-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)C2CCC(C)(C(=O)O)C2(C)C)cc1
InChIInChI=1S/C17H23NO4/c1-16(2)13(9-10-17(16,3)15(20)21)14(19)18-11-5-7-12(22-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,18,19)(H,20,21)
InChIKeyQPYTVMVVJQQGBR-UHFFFAOYSA-N
XLogP3.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(4-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid (CID 579629) is 3-[(4-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(4-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid is COc1ccc(NC(=O)C2CCC(C)(C(=O)O)C2(C)C)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The InChIKey is QPYTVMVVJQQGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-16(2)13(9-10-17(16,3)15(20)21)14(19)18-11-5-7-12(22-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,18,19)(H,20,21).
What are the key properties of 3-[(4-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid?
3-[(4-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 579629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).