1,2,2-trimethyl-3-(1-phenylethylcarbamoyl)cyclopentane-1-carboxylic acid

C18H25NO3 — CID 2827273

IUPAC1,2,2-trimethyl-3-(1-phenylethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)C1CCC(C)(C(=O)O)C1(C)C)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-12(13-8-6-5-7-9-13)19-15(20)14-10-11-18(4,16(21)22)17(14,2)3/h5-9,12,14H,10-11H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyDJKAHODAMHQADM-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.39
Rot. Bonds4

About 1,2,2-trimethyl-3-(1-phenylethylcarbamoyl)cyclopentane-1-carboxylic acid

1,2,2-trimethyl-3-(1-phenylethylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 2827273) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1,2,2-trimethyl-3-(1-phenylethylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1,2,2-trimethyl-3-(1-phenylethylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID2827273
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1,2,2-trimethyl-3-(1-phenylethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)C1CCC(C)(C(=O)O)C1(C)C)c1ccccc1
InChIInChI=1S/C18H25NO3/c1-12(13-8-6-5-7-9-13)19-15(20)14-10-11-18(4,16(21)22)17(14,2)3/h5-9,12,14H,10-11H2,1-4H3,(H,19,20)(H,21,22)
InChIKeyDJKAHODAMHQADM-UHFFFAOYSA-N
XLogP3.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-3-(1-phenylethylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1,2,2-trimethyl-3-(1-phenylethylcarbamoyl)cyclopentane-1-carboxylic acid (CID 2827273) is 1,2,2-trimethyl-3-(1-phenylethylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1,2,2-trimethyl-3-(1-phenylethylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1,2,2-trimethyl-3-(1-phenylethylcarbamoyl)cyclopentane-1-carboxylic acid is CC(NC(=O)C1CCC(C)(C(=O)O)C1(C)C)c1ccccc1.
What is the InChIKey of 1,2,2-trimethyl-3-(1-phenylethylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is DJKAHODAMHQADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12(13-8-6-5-7-9-13)19-15(20)14-10-11-18(4,16(21)22)17(14,2)3/h5-9,12,14H,10-11H2,1-4H3,(H,19,20)(H,21,22).
What are the key properties of 1,2,2-trimethyl-3-(1-phenylethylcarbamoyl)cyclopentane-1-carboxylic acid?
1,2,2-trimethyl-3-(1-phenylethylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-3-(1-phenylethylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 2827273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).