cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate

C19H23N3O5 — CID 59978551

IUPACcis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@]1(Cc2ccc(OCc3cncn3C)cc2)C[C@@H]1C(=O)NO
InChIInChI=1S/C19H23N3O5/c1-3-26-18(24)19(9-16(19)17(23)21-25)8-13-4-6-15(7-5-13)27-11-14-10-20-12-22(14)2/h4-7,10,12,16,25H,3,8-9,11H2,1-2H3,(H,21,23)/t16-,19+/m1/s1
InChIKeyLLCYVUPBVIAHCR-APWZRJJASA-N
MW373.41 g/mol
LogP1.62
Rot. Bonds8

About cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate

cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate (PubChem CID 59978551) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
PubChem CID59978551
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Namecis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@]1(Cc2ccc(OCc3cncn3C)cc2)C[C@@H]1C(=O)NO
InChIInChI=1S/C19H23N3O5/c1-3-26-18(24)19(9-16(19)17(23)21-25)8-13-4-6-15(7-5-13)27-11-14-10-20-12-22(14)2/h4-7,10,12,16,25H,3,8-9,11H2,1-2H3,(H,21,23)/t16-,19+/m1/s1
InChIKeyLLCYVUPBVIAHCR-APWZRJJASA-N
XLogP1.62
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate (CID 59978551) is cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate is CCOC(=O)[C@@]1(Cc2ccc(OCc3cncn3C)cc2)C[C@@H]1C(=O)NO.
What is the InChIKey of cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate?
The InChIKey is LLCYVUPBVIAHCR-APWZRJJASA-N. The full InChI is InChI=1S/C19H23N3O5/c1-3-26-18(24)19(9-16(19)17(23)21-25)8-13-4-6-15(7-5-13)27-11-14-10-20-12-22(14)2/h4-7,10,12,16,25H,3,8-9,11H2,1-2H3,(H,21,23)/t16-,19+/m1/s1.
What are the key properties of cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate?
cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 59978551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).