trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate

C12H14O2 — CID 71409329

IUPACtrans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H]1Cc1ccccc1
InChIInChI=1S/C12H14O2/c1-14-12(13)11-8-10(11)7-9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11+/m0/s1
InChIKeyZPBLLJGHROHQLV-WDEREUQCSA-N
MW190.24 g/mol
LogP2.04
Rot. Bonds3

About trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate

trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate (PubChem CID 71409329) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate
PubChem CID71409329
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Nametrans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H]1Cc1ccccc1
InChIInChI=1S/C12H14O2/c1-14-12(13)11-8-10(11)7-9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11+/m0/s1
InChIKeyZPBLLJGHROHQLV-WDEREUQCSA-N
XLogP2.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
CID 10487497
trans-(1R,2R)-2-benzyl-N-phenylcyclopropane-1-carboxamide
CID 899834
2-(2-benzylcyclopropyl)-2-oxoacetamide
CID 57160857
trans-dimethyl (4S,5S)-4,5-bis(phenylmethoxy)cyclohexane-1,2-dicarboxylate
CID 11004179
cis-methyl (1S,2S)-2-[(1,3-dioxoisoindol-2-yl)methyl]cyclopropane-1-carboxylate
CID 1239910
methyl (3S,4S)-4-benzyl-1-(oxirane-2-carbonyl)pyrrolidine-3-carboxylate
CID 154879873
cis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide
CID 158550362
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
(1R,2S,4S,5S)-2-benzyl-4,5-dibromocyclohexane-1-carboxylic acid
CID 98246158
2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate
CID 153256212
[(1S,2R)-2-methoxycyclopropyl]methylbenzene
CID 100914167
[(1R,2S,3R,5R)-2-benzoyloxy-5-(hydroxymethyl)-3-methoxycarbonylcyclopentyl] benzoate
CID 10046407

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate (CID 71409329) is trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate is COC(=O)[C@@H]1C[C@@H]1Cc1ccccc1.
What is the InChIKey of trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate?
The InChIKey is ZPBLLJGHROHQLV-WDEREUQCSA-N. The full InChI is InChI=1S/C12H14O2/c1-14-12(13)11-8-10(11)7-9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11+/m0/s1.
What are the key properties of trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate?
trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate has a molecular weight of 190.24 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate is sourced from PubChem (CID 71409329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).