5-[(3,3-dimethylcyclopentyl)carbamoyl]oxolane-2-carboxylic acid

C13H21NO4 — CID 102689083

IUPAC5-[(3,3-dimethylcyclopentyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC1(C)CCC(NC(=O)C2CCC(C(=O)O)O2)C1
InChIInChI=1S/C13H21NO4/c1-13(2)6-5-8(7-13)14-11(15)9-3-4-10(18-9)12(16)17/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyUSNCUJPCYAUZCN-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.31
Rot. Bonds3

About 5-[(3,3-dimethylcyclopentyl)carbamoyl]oxolane-2-carboxylic acid

5-[(3,3-dimethylcyclopentyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102689083) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 5-[(3,3-dimethylcyclopentyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,3-dimethylcyclopentyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102689083
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name5-[(3,3-dimethylcyclopentyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC1(C)CCC(NC(=O)C2CCC(C(=O)O)O2)C1
InChIInChI=1S/C13H21NO4/c1-13(2)6-5-8(7-13)14-11(15)9-3-4-10(18-9)12(16)17/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyUSNCUJPCYAUZCN-UHFFFAOYSA-N
XLogP1.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-dimethylcyclopentyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(3,3-dimethylcyclopentyl)carbamoyl]oxolane-2-carboxylic acid (CID 102689083) is 5-[(3,3-dimethylcyclopentyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(3,3-dimethylcyclopentyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(3,3-dimethylcyclopentyl)carbamoyl]oxolane-2-carboxylic acid is CC1(C)CCC(NC(=O)C2CCC(C(=O)O)O2)C1.
What is the InChIKey of 5-[(3,3-dimethylcyclopentyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is USNCUJPCYAUZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-13(2)6-5-8(7-13)14-11(15)9-3-4-10(18-9)12(16)17/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-[(3,3-dimethylcyclopentyl)carbamoyl]oxolane-2-carboxylic acid?
5-[(3,3-dimethylcyclopentyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-dimethylcyclopentyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102689083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).