2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid

C15H26N2O3 — CID 114549013

IUPAC2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C)CCC(NC(=O)NC2CCCC2(C)C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-14(2)8-6-10(9-14)16-13(20)17-11-5-4-7-15(11,3)12(18)19/h10-11H,4-9H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyOAIPTNZOXFWPAH-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.51
Rot. Bonds3

About 2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid

2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 114549013) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID114549013
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C)CCC(NC(=O)NC2CCCC2(C)C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-14(2)8-6-10(9-14)16-13(20)17-11-5-4-7-15(11,3)12(18)19/h10-11H,4-9H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyOAIPTNZOXFWPAH-UHFFFAOYSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid (CID 114549013) is 2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid is CC1(C)CCC(NC(=O)NC2CCCC2(C)C(=O)O)C1.
What is the InChIKey of 2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is OAIPTNZOXFWPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(2)8-6-10(9-14)16-13(20)17-11-5-4-7-15(11,3)12(18)19/h10-11H,4-9H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylcyclopentyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114549013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).