3-[bis(2-methylpropyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid

C18H33NO3 — CID 19165476

IUPAC3-[bis(2-methylpropyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
SMILESCC(C)CN(CC(C)C)C(=O)C1CCC(C)(C(=O)O)C1(C)C
InChIInChI=1S/C18H33NO3/c1-12(2)10-19(11-13(3)4)15(20)14-8-9-18(7,16(21)22)17(14,5)6/h12-14H,8-11H2,1-7H3,(H,21,22)
InChIKeyWYSBGHIUHABDJX-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.65
Rot. Bonds6

About 3-[bis(2-methylpropyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid

3-[bis(2-methylpropyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid (PubChem CID 19165476) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
PubChem CID19165476
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Name3-[bis(2-methylpropyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
SMILESCC(C)CN(CC(C)C)C(=O)C1CCC(C)(C(=O)O)C1(C)C
InChIInChI=1S/C18H33NO3/c1-12(2)10-19(11-13(3)4)15(20)14-8-9-18(7,16(21)22)17(14,5)6/h12-14H,8-11H2,1-7H3,(H,21,22)
InChIKeyWYSBGHIUHABDJX-UHFFFAOYSA-N
XLogP3.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[bis(2-methylpropyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The IUPAC name of 3-[bis(2-methylpropyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid (CID 19165476) is 3-[bis(2-methylpropyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[bis(2-methylpropyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[bis(2-methylpropyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid is CC(C)CN(CC(C)C)C(=O)C1CCC(C)(C(=O)O)C1(C)C.
What is the InChIKey of 3-[bis(2-methylpropyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid?
The InChIKey is WYSBGHIUHABDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c1-12(2)10-19(11-13(3)4)15(20)14-8-9-18(7,16(21)22)17(14,5)6/h12-14H,8-11H2,1-7H3,(H,21,22).
What are the key properties of 3-[bis(2-methylpropyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid?
3-[bis(2-methylpropyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid has a molecular weight of 311.47 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 19165476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).