cis-ethyl (1R,2S)-2-acetamidocyclopentane-1-carboxylate

C10H17NO3 — CID 45089494

IUPACcis-ethyl (1R,2S)-2-acetamidocyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCC[C@@H]1NC(C)=O
InChIInChI=1S/C10H17NO3/c1-3-14-10(13)8-5-4-6-9(8)11-7(2)12/h8-9H,3-6H2,1-2H3,(H,11,12)/t8-,9+/m1/s1
InChIKeyBNAAEAXZPBLNFQ-BDAKNGLRSA-N
MW199.25 g/mol
LogP0.85
Rot. Bonds3

About cis-ethyl (1R,2S)-2-acetamidocyclopentane-1-carboxylate

cis-ethyl (1R,2S)-2-acetamidocyclopentane-1-carboxylate (PubChem CID 45089494) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-2-acetamidocyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-2-acetamidocyclopentane-1-carboxylate
PubChem CID45089494
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namecis-ethyl (1R,2S)-2-acetamidocyclopentane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CCC[C@@H]1NC(C)=O
InChIInChI=1S/C10H17NO3/c1-3-14-10(13)8-5-4-6-9(8)11-7(2)12/h8-9H,3-6H2,1-2H3,(H,11,12)/t8-,9+/m1/s1
InChIKeyBNAAEAXZPBLNFQ-BDAKNGLRSA-N
XLogP0.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-2-acetamidocyclopentane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2S)-2-acetamidocyclopentane-1-carboxylate (CID 45089494) is cis-ethyl (1R,2S)-2-acetamidocyclopentane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2S)-2-acetamidocyclopentane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2S)-2-acetamidocyclopentane-1-carboxylate is CCOC(=O)[C@@H]1CCC[C@@H]1NC(C)=O.
What is the InChIKey of cis-ethyl (1R,2S)-2-acetamidocyclopentane-1-carboxylate?
The InChIKey is BNAAEAXZPBLNFQ-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-14-10(13)8-5-4-6-9(8)11-7(2)12/h8-9H,3-6H2,1-2H3,(H,11,12)/t8-,9+/m1/s1.
What are the key properties of cis-ethyl (1R,2S)-2-acetamidocyclopentane-1-carboxylate?
cis-ethyl (1R,2S)-2-acetamidocyclopentane-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-2-acetamidocyclopentane-1-carboxylate is sourced from PubChem (CID 45089494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).