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

C9H14O3 — CID 165354551

IUPACcis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CC[C@@H]1C(C)=O
InChIInChI=1S/C9H14O3/c1-3-12-9(11)8-5-4-7(8)6(2)10/h7-8H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyQLGNUODWAXKCEG-HTQZYQBOSA-N
MW170.21 g/mol
LogP1.16
Rot. Bonds3

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

cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate (PubChem CID 165354551) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
PubChem CID165354551
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namecis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CC[C@@H]1C(C)=O
InChIInChI=1S/C9H14O3/c1-3-12-9(11)8-5-4-7(8)6(2)10/h7-8H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyQLGNUODWAXKCEG-HTQZYQBOSA-N
XLogP1.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-acetylcyclopropane-1-carboxylate
CID 12537328
2-ethoxycarbonylcyclobutane-1-carboxylic acid
CID 19889622
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
trans-ethyl (1R,2R)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 12547530
ethyl 2-propanoylcyclopropane-1-carboxylate
CID 59593706
trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate
CID 67601467
ethyl 5-acetylpyrazolidine-3-carboxylate
CID 170905904
cis-(1R,2S)-2-ethoxycarbonylcyclohexane-1-carboxylate
CID 71423369
trans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate
CID 11423844
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
ethyl 4-amino-2-hydroxycyclohexane-1-carboxylate
CID 117046513
1-O-ethyl 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] cyclohexane-1,2-dicarboxylate
CID 151718599

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate (CID 165354551) is cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate is CCOC(=O)[C@@H]1CC[C@@H]1C(C)=O.
What is the InChIKey of cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate?
The InChIKey is QLGNUODWAXKCEG-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-12-9(11)8-5-4-7(8)6(2)10/h7-8H,3-5H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate?
cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate has a molecular weight of 170.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate is sourced from PubChem (CID 165354551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).