trans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate

C10H16O3 — CID 122666743

IUPACtrans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate
SMILESCCCC(=O)[C@@H]1C[C@H]1C(=O)OCC
InChIInChI=1S/C10H16O3/c1-3-5-9(11)7-6-8(7)10(12)13-4-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyUADXUHQTOISSSD-HTQZYQBOSA-N
MW184.23 g/mol
LogP1.55
Rot. Bonds5

About trans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate

trans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate (PubChem CID 122666743) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is trans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate
PubChem CID122666743
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nametrans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate
SMILESCCCC(=O)[C@@H]1C[C@H]1C(=O)OCC
InChIInChI=1S/C10H16O3/c1-3-5-9(11)7-6-8(7)10(12)13-4-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyUADXUHQTOISSSD-HTQZYQBOSA-N
XLogP1.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze trans-ethyl (1R,2R)-2-butanoylcyclopropane-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-propanoylcyclopropane-1-carboxylate
CID 59593706
trans-ethyl (1R,2R)-2-propanoylcyclopropane-1-carboxylate
CID 67601467
trans-ethyl (1S,2S)-2-(4-methylpentanoyl)cyclopropane-1-carboxylate
CID 10774911
ethyl 2-acetylcyclopropane-1-carboxylate
CID 12537328
trans-ethyl (1R,2R)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 12547530
2-O-ethyl 1-O-methylsulfonyl cyclopropane-1,2-dicarboxylate
CID 58429045
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
cis-ethyl (1R,2R)-2-propylcyclopropane-1-carboxylate
CID 45090224
cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
CID 165354551
2-ethoxycarbonylcyclobutane-1-carboxylic acid
CID 19889622
ethyl 4-(2-methylcyclopropyl)-4-oxobutanoate
CID 66322746
trans-ethyl (1S,2S)-2-[3-[4-(trifluoromethyl)phenyl]propanoyl]cyclopropane-1-carboxylate
CID 10663053

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate (CID 122666743) is trans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate is CCCC(=O)[C@@H]1C[C@H]1C(=O)OCC.
What is the InChIKey of trans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate?
The InChIKey is UADXUHQTOISSSD-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-5-9(11)7-6-8(7)10(12)13-4-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of trans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate?
trans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1R,2R)-2-butanoylcyclopropane-1-carboxylate is sourced from PubChem (CID 122666743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).