2-[(2,3-dimethylcyclopentyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid

C16H27NO3 — CID 114511889

IUPAC2-[(2,3-dimethylcyclopentyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NC2CCC(C)C2C)C1
InChIInChI=1S/C16H27NO3/c1-4-11-7-12(13(8-11)16(19)20)15(18)17-14-6-5-9(2)10(14)3/h9-14H,4-8H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyUHVUBKYGADSLEL-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.67
Rot. Bonds4

About 2-[(2,3-dimethylcyclopentyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid

2-[(2,3-dimethylcyclopentyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid (PubChem CID 114511889) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[(2,3-dimethylcyclopentyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,3-dimethylcyclopentyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
PubChem CID114511889
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[(2,3-dimethylcyclopentyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NC2CCC(C)C2C)C1
InChIInChI=1S/C16H27NO3/c1-4-11-7-12(13(8-11)16(19)20)15(18)17-14-6-5-9(2)10(14)3/h9-14H,4-8H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyUHVUBKYGADSLEL-UHFFFAOYSA-N
XLogP2.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylcyclopentyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2,3-dimethylcyclopentyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid (CID 114511889) is 2-[(2,3-dimethylcyclopentyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,3-dimethylcyclopentyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2,3-dimethylcyclopentyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)NC2CCC(C)C2C)C1.
What is the InChIKey of 2-[(2,3-dimethylcyclopentyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The InChIKey is UHVUBKYGADSLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-4-11-7-12(13(8-11)16(19)20)15(18)17-14-6-5-9(2)10(14)3/h9-14H,4-8H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2,3-dimethylcyclopentyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
2-[(2,3-dimethylcyclopentyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylcyclopentyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).