trans-ethyl (1S,2S)-2-[(2-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate

C13H14FNO3 — CID 178138593

IUPACtrans-ethyl (1S,2S)-2-[(2-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccccc1F
InChIInChI=1S/C13H14FNO3/c1-2-18-13(17)9-7-8(9)12(16)15-11-6-4-3-5-10(11)14/h3-6,8-9H,2,7H2,1H3,(H,15,16)/t8-,9-/m0/s1
InChIKeyMNLRAEQUNYTCJJ-IUCAKERBSA-N
MW251.26 g/mol
LogP1.96
Rot. Bonds4

About trans-ethyl (1S,2S)-2-[(2-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate

trans-ethyl (1S,2S)-2-[(2-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate (PubChem CID 178138593) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is trans-ethyl (1S,2S)-2-[(2-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1S,2S)-2-[(2-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate
PubChem CID178138593
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Nametrans-ethyl (1S,2S)-2-[(2-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccccc1F
InChIInChI=1S/C13H14FNO3/c1-2-18-13(17)9-7-8(9)12(16)15-11-6-4-3-5-10(11)14/h3-6,8-9H,2,7H2,1H3,(H,15,16)/t8-,9-/m0/s1
InChIKeyMNLRAEQUNYTCJJ-IUCAKERBSA-N
XLogP1.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-[(2,6-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109144216
1-N-(2-fluorophenyl)-2-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131515
1-N-(2-fluorophenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141026
1-N-(2,6-difluorophenyl)-2-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143509
1-N-(2-fluorophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135951
trans-[2-(2-fluoroanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 2356465
2-N-(4-bromophenyl)-1-N-(2-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142656
2-(4-acetylpiperazine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 109134727
ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate
CID 102105176
2-(2-ethylpiperidine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 109140302
N-(2-fluorophenyl)-2-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132656
ethyl 3-(2-fluoroanilino)cyclohexane-1-carboxylate
CID 68598367

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1S,2S)-2-[(2-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1S,2S)-2-[(2-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate (CID 178138593) is trans-ethyl (1S,2S)-2-[(2-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1S,2S)-2-[(2-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1S,2S)-2-[(2-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate is CCOC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccccc1F.
What is the InChIKey of trans-ethyl (1S,2S)-2-[(2-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate?
The InChIKey is MNLRAEQUNYTCJJ-IUCAKERBSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-2-18-13(17)9-7-8(9)12(16)15-11-6-4-3-5-10(11)14/h3-6,8-9H,2,7H2,1H3,(H,15,16)/t8-,9-/m0/s1.
What are the key properties of trans-ethyl (1S,2S)-2-[(2-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate?
trans-ethyl (1S,2S)-2-[(2-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate has a molecular weight of 251.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1S,2S)-2-[(2-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 178138593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).