ethyl 2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(1-methylimidazol-2-yl)acetate

C18H20FN3O3 — CID 154755518

IUPACethyl 2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(1-methylimidazol-2-yl)acetate
SMILESCCOC(=O)C(NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C18H20FN3O3/c1-3-25-18(24)15(16-20-8-9-22(16)2)21-17(23)14-10-13(14)11-4-6-12(19)7-5-11/h4-9,13-15H,3,10H2,1-2H3,(H,21,23)/t13-,14+,15?/m0/s1
InChIKeyBDCDQNFMLHVOBH-SNTRVMSOSA-N
MW345.37 g/mol
LogP2.08
Rot. Bonds6

About ethyl 2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(1-methylimidazol-2-yl)acetate

ethyl 2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(1-methylimidazol-2-yl)acetate (PubChem CID 154755518) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is ethyl 2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(1-methylimidazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(1-methylimidazol-2-yl)acetate
PubChem CID154755518
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Nameethyl 2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(1-methylimidazol-2-yl)acetate
SMILESCCOC(=O)C(NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1nccn1C
InChIInChI=1S/C18H20FN3O3/c1-3-25-18(24)15(16-20-8-9-22(16)2)21-17(23)14-10-13(14)11-4-6-12(19)7-5-11/h4-9,13-15H,3,10H2,1-2H3,(H,21,23)/t13-,14+,15?/m0/s1
InChIKeyBDCDQNFMLHVOBH-SNTRVMSOSA-N
XLogP2.08
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(1-methylimidazol-2-yl)acetate with MolForge

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Related Compounds

2-(4-fluorophenyl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 47016416
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 166198555
(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 129446041
2-(4-cyanophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 166185377
cis-(1R,2S)-2-(4-fluorophenyl)-N-[1-(2-methylpropyl)imidazol-2-yl]cyclopropane-1-carboxamide
CID 95153281
ethyl 2-amino-2-(1-methylimidazol-2-yl)acetate;hydrochloride
CID 44891077
(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid
CID 129469534
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51262533
trans-(1S,2S)-N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-2-phenylcyclopropane-1-carboxamide
CID 96568567
1-fluoro-2-[(1R,2R)-2-methylcyclopropyl]benzene;trans-ethyl (1R,2R)-2-(4-fluorophenyl)cyclopropane-1-carboxylate
CID 161322254
2-pyrazol-1-ylethyl 2-(4-fluorophenyl)cyclopropane-1-carboxylate
CID 86862371
2-(3-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]cyclopropane-1-carboxamide
CID 49158229

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(1-methylimidazol-2-yl)acetate?
The IUPAC name of ethyl 2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(1-methylimidazol-2-yl)acetate (CID 154755518) is ethyl 2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(1-methylimidazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(1-methylimidazol-2-yl)acetate?
The canonical SMILES for ethyl 2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(1-methylimidazol-2-yl)acetate is CCOC(=O)C(NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1nccn1C.
What is the InChIKey of ethyl 2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(1-methylimidazol-2-yl)acetate?
The InChIKey is BDCDQNFMLHVOBH-SNTRVMSOSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-3-25-18(24)15(16-20-8-9-22(16)2)21-17(23)14-10-13(14)11-4-6-12(19)7-5-11/h4-9,13-15H,3,10H2,1-2H3,(H,21,23)/t13-,14+,15?/m0/s1.
What are the key properties of ethyl 2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(1-methylimidazol-2-yl)acetate?
ethyl 2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(1-methylimidazol-2-yl)acetate has a molecular weight of 345.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(1-methylimidazol-2-yl)acetate is sourced from PubChem (CID 154755518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).