cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[(4-phenoxyphenyl)methyl]cyclopropane-1-carboxylate

C20H21NO5 — CID 24799954

IUPACcis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[(4-phenoxyphenyl)methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@]1(Cc2ccc(Oc3ccccc3)cc2)C[C@@H]1C(=O)NO
InChIInChI=1S/C20H21NO5/c1-2-25-19(23)20(13-17(20)18(22)21-24)12-14-8-10-16(11-9-14)26-15-6-4-3-5-7-15/h3-11,17,24H,2,12-13H2,1H3,(H,21,22)/t17-,20+/m1/s1
InChIKeyYGEGTSIAKVGXAQ-XLIONFOSSA-N
MW355.39 g/mol
LogP3.10
Rot. Bonds7

About cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[(4-phenoxyphenyl)methyl]cyclopropane-1-carboxylate

cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[(4-phenoxyphenyl)methyl]cyclopropane-1-carboxylate (PubChem CID 24799954) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[(4-phenoxyphenyl)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[(4-phenoxyphenyl)methyl]cyclopropane-1-carboxylate
PubChem CID24799954
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Namecis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[(4-phenoxyphenyl)methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@]1(Cc2ccc(Oc3ccccc3)cc2)C[C@@H]1C(=O)NO
InChIInChI=1S/C20H21NO5/c1-2-25-19(23)20(13-17(20)18(22)21-24)12-14-8-10-16(11-9-14)26-15-6-4-3-5-7-15/h3-11,17,24H,2,12-13H2,1H3,(H,21,22)/t17-,20+/m1/s1
InChIKeyYGEGTSIAKVGXAQ-XLIONFOSSA-N
XLogP3.10
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[(4-phenoxyphenyl)methyl]cyclopropane-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

N-hydroxy-7-(4-phenylphenoxy)heptanamide
CID 22915465
methyl (1R,2R)-2-(hydroxycarbamoyl)-1-{3-[2-(naphthalen-2-yl)ethoxy]phenyl}cyclopropane-1-carboxylate
CID 10126803
Methyl (1R,2R)-1-[3-(cyclohexylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 10150046
methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-(2-phenylethoxy)phenyl]cyclopropane-1-carboxylate
CID 10215513
methyl (1R,2R)-1-{3-[(4-chlorophenyl)methoxy]phenyl}-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 10237300
methyl (1R,2R)-2-(hydroxycarbamoyl)-1-(3-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)cyclopropane-1-carboxylate
CID 24799268
methyl (1R,2R)-1-{3-[(3-fluorophenyl)methoxy]phenyl}-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 24799438
methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-(naphthalen-2-yloxy)phenyl]cyclopropane-1-carboxylate
CID 24799440
methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-(2-methylphenoxy)phenyl]cyclopropane-1-carboxylate
CID 24799441
methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-(4-methylphenoxy)phenyl]cyclopropane-1-carboxylate
CID 24799442
methyl (1R,2S)-1-({4-[(3,4-dichlorophenyl)methoxy]phenyl}methyl)-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 24799782
methyl (1R,2S)-1-({4-[(2-chlorophenyl)methoxy]phenyl}methyl)-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 24799951

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[(4-phenoxyphenyl)methyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[(4-phenoxyphenyl)methyl]cyclopropane-1-carboxylate (CID 24799954) is cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[(4-phenoxyphenyl)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[(4-phenoxyphenyl)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[(4-phenoxyphenyl)methyl]cyclopropane-1-carboxylate is CCOC(=O)[C@@]1(Cc2ccc(Oc3ccccc3)cc2)C[C@@H]1C(=O)NO.
What is the InChIKey of cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[(4-phenoxyphenyl)methyl]cyclopropane-1-carboxylate?
The InChIKey is YGEGTSIAKVGXAQ-XLIONFOSSA-N. The full InChI is InChI=1S/C20H21NO5/c1-2-25-19(23)20(13-17(20)18(22)21-24)12-14-8-10-16(11-9-14)26-15-6-4-3-5-7-15/h3-11,17,24H,2,12-13H2,1H3,(H,21,22)/t17-,20+/m1/s1.
What are the key properties of cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[(4-phenoxyphenyl)methyl]cyclopropane-1-carboxylate?
cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[(4-phenoxyphenyl)methyl]cyclopropane-1-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[(4-phenoxyphenyl)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 24799954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).