methyl 2-acetamidocyclopentane-1-carboxylate

C9H15NO3 — CID 45119239

IUPACmethyl 2-acetamidocyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1NC(C)=O
InChIInChI=1S/C9H15NO3/c1-6(11)10-8-5-3-4-7(8)9(12)13-2/h7-8H,3-5H2,1-2H3,(H,10,11)
InChIKeyCJZFBJXBCOGPSE-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.46
Rot. Bonds2

About methyl 2-acetamidocyclopentane-1-carboxylate

methyl 2-acetamidocyclopentane-1-carboxylate (PubChem CID 45119239) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 2-acetamidocyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-acetamidocyclopentane-1-carboxylate
PubChem CID45119239
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 2-acetamidocyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1NC(C)=O
InChIInChI=1S/C9H15NO3/c1-6(11)10-8-5-3-4-7(8)9(12)13-2/h7-8H,3-5H2,1-2H3,(H,10,11)
InChIKeyCJZFBJXBCOGPSE-UHFFFAOYSA-N
XLogP0.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamidocyclopentane-1-carboxylate?
The IUPAC name of methyl 2-acetamidocyclopentane-1-carboxylate (CID 45119239) is methyl 2-acetamidocyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-acetamidocyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-acetamidocyclopentane-1-carboxylate is COC(=O)C1CCCC1NC(C)=O.
What is the InChIKey of methyl 2-acetamidocyclopentane-1-carboxylate?
The InChIKey is CJZFBJXBCOGPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(11)10-8-5-3-4-7(8)9(12)13-2/h7-8H,3-5H2,1-2H3,(H,10,11).
What are the key properties of methyl 2-acetamidocyclopentane-1-carboxylate?
methyl 2-acetamidocyclopentane-1-carboxylate has a molecular weight of 185.22 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamidocyclopentane-1-carboxylate is sourced from PubChem (CID 45119239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).