(3-carbamoylcyclopentyl)methyl acetate

C9H15NO3 — CID 517718

IUPAC(3-carbamoylcyclopentyl)methyl acetate
SMILESCC(=O)OCC1CCC(C(N)=O)C1
InChIInChI=1S/C9H15NO3/c1-6(11)13-5-7-2-3-8(4-7)9(10)12/h7-8H,2-5H2,1H3,(H2,10,12)
InChIKeyJWBPGWFJMMFYAX-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.45
Rot. Bonds3

About (3-carbamoylcyclopentyl)methyl acetate

(3-carbamoylcyclopentyl)methyl acetate (PubChem CID 517718) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (3-carbamoylcyclopentyl)methyl acetate.

Molecular Properties

Compound Name(3-carbamoylcyclopentyl)methyl acetate
PubChem CID517718
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(3-carbamoylcyclopentyl)methyl acetate
SMILESCC(=O)OCC1CCC(C(N)=O)C1
InChIInChI=1S/C9H15NO3/c1-6(11)13-5-7-2-3-8(4-7)9(10)12/h7-8H,2-5H2,1H3,(H2,10,12)
InChIKeyJWBPGWFJMMFYAX-UHFFFAOYSA-N
XLogP0.45
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-carbamoylcyclopentyl)methyl acetate?
The IUPAC name of (3-carbamoylcyclopentyl)methyl acetate (CID 517718) is (3-carbamoylcyclopentyl)methyl acetate.
What is the SMILES notation for (3-carbamoylcyclopentyl)methyl acetate?
The canonical SMILES for (3-carbamoylcyclopentyl)methyl acetate is CC(=O)OCC1CCC(C(N)=O)C1.
What is the InChIKey of (3-carbamoylcyclopentyl)methyl acetate?
The InChIKey is JWBPGWFJMMFYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(11)13-5-7-2-3-8(4-7)9(10)12/h7-8H,2-5H2,1H3,(H2,10,12).
What are the key properties of (3-carbamoylcyclopentyl)methyl acetate?
(3-carbamoylcyclopentyl)methyl acetate has a molecular weight of 185.22 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoylcyclopentyl)methyl acetate is sourced from PubChem (CID 517718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).