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

C11H19NO3 — CID 5268664

IUPAC1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCNC(=O)C1CCC(C)(C(=O)O)C1(C)C
InChIInChI=1S/C11H19NO3/c1-10(2)7(8(13)12-4)5-6-11(10,3)9(14)15/h7H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyOLOKREPGYJVILA-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.26
Rot. Bonds2

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

1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 5268664) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID5268664
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCNC(=O)C1CCC(C)(C(=O)O)C1(C)C
InChIInChI=1S/C11H19NO3/c1-10(2)7(8(13)12-4)5-6-11(10,3)9(14)15/h7H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyOLOKREPGYJVILA-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.26
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-(methylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid (CID 5268664) is 1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid is CNC(=O)C1CCC(C)(C(=O)O)C1(C)C.
What is the InChIKey of 1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is OLOKREPGYJVILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2)7(8(13)12-4)5-6-11(10,3)9(14)15/h7H,5-6H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid?
1,2,2-trimethyl-3-(methylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.26, 2 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-(methylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 5268664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).