1,2,2-trimethyl-3-(naphthalen-2-ylcarbamoyl)cyclopentane-1-carboxylic acid

C20H23NO3 — CID 2831578

IUPAC1,2,2-trimethyl-3-(naphthalen-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C(=O)Nc2ccc3ccccc3c2)C1(C)C
InChIInChI=1S/C20H23NO3/c1-19(2)16(10-11-20(19,3)18(23)24)17(22)21-15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12,16H,10-11H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyCLINVXMMKYZOKG-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.31
Rot. Bonds3

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

1,2,2-trimethyl-3-(naphthalen-2-ylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 2831578) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1,2,2-trimethyl-3-(naphthalen-2-ylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1,2,2-trimethyl-3-(naphthalen-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID2831578
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name1,2,2-trimethyl-3-(naphthalen-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C(=O)Nc2ccc3ccccc3c2)C1(C)C
InChIInChI=1S/C20H23NO3/c1-19(2)16(10-11-20(19,3)18(23)24)17(22)21-15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12,16H,10-11H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyCLINVXMMKYZOKG-UHFFFAOYSA-N
XLogP4.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1-{2-[(4-Methylphenyl)amino]-2-oxoethyl}cyclopentyl)acetic acid
CID 895457
3-((3-Fluorophenyl)carbamoyl)-1,2,2-trimethylcyclopentanecarboxylic acid
CID 2879284
1,2,2-Trimethyl-3-((phenylamino)carbonyl)cyclopentanecarboxylic acid
CID 98319
2-[1-[2-Oxo-2-(2-propan-2-ylanilino)ethyl]cyclopentyl]acetic acid
CID 2348557
5-Oxo-3-phenyl-5-(4-phenylanilino)pentanoic acid
CID 2812802
3-[(4-Fluorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 3109098
(1-{2-[(3-Methylphenyl)amino]-2-oxoethyl}cyclopentyl)acetic acid
CID 929865
(1-{2-[(2,4-Dimethylphenyl)amino]-2-oxoethyl}cyclopentyl)acetic acid
CID 932889
3-((2,5-Dimethylphenyl)carbamoyl)-1,2,2-trimethylcyclopentanecarboxylic acid
CID 3094918
Cambridge id 6073389
CID 3105144
Methyl 3-(anilinocarbonyl)-2,2,3-trimethylcyclopentanecarboxylate
CID 3241776
Cambridge id 5483946
CID 2848785

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-3-(naphthalen-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1,2,2-trimethyl-3-(naphthalen-2-ylcarbamoyl)cyclopentane-1-carboxylic acid (CID 2831578) is 1,2,2-trimethyl-3-(naphthalen-2-ylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1,2,2-trimethyl-3-(naphthalen-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1,2,2-trimethyl-3-(naphthalen-2-ylcarbamoyl)cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCC(C(=O)Nc2ccc3ccccc3c2)C1(C)C.
What is the InChIKey of 1,2,2-trimethyl-3-(naphthalen-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is CLINVXMMKYZOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-19(2)16(10-11-20(19,3)18(23)24)17(22)21-15-9-8-13-6-4-5-7-14(13)12-15/h4-9,12,16H,10-11H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 1,2,2-trimethyl-3-(naphthalen-2-ylcarbamoyl)cyclopentane-1-carboxylic acid?
1,2,2-trimethyl-3-(naphthalen-2-ylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 4.31, 3 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-(naphthalen-2-ylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 2831578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).