methyl (2E)-2-hydroxyimino-3-phenylpropanoate

C10H11NO3 — CID 91622030

IUPACmethyl (2E)-2-hydroxyimino-3-phenylpropanoate
SMILESCOC(=O)/C(Cc1ccccc1)=N/O
InChIInChI=1S/C10H11NO3/c1-14-10(12)9(11-13)7-8-5-3-2-4-6-8/h2-6,13H,7H2,1H3/b11-9+
InChIKeyDNPNDVKAAGUEOL-PKNBQFBNSA-N
MW193.20 g/mol
LogP1.23
Rot. Bonds3

About methyl (2E)-2-hydroxyimino-3-phenylpropanoate

methyl (2E)-2-hydroxyimino-3-phenylpropanoate (PubChem CID 91622030) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl (2E)-2-hydroxyimino-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2E)-2-hydroxyimino-3-phenylpropanoate
PubChem CID91622030
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl (2E)-2-hydroxyimino-3-phenylpropanoate
SMILESCOC(=O)/C(Cc1ccccc1)=N/O
InChIInChI=1S/C10H11NO3/c1-14-10(12)9(11-13)7-8-5-3-2-4-6-8/h2-6,13H,7H2,1H3/b11-9+
InChIKeyDNPNDVKAAGUEOL-PKNBQFBNSA-N
XLogP1.23
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Methyl 3-phenylpropionate
CID 7643
3-Phenyl-5-isoxazolone
CID 70641
2-(Hydroxyimino)-3-Phenylpropanoic Acid
CID 6416112
(2e)-2-(Hydroxyimino)-3-Phenylpropanoic Acid
CID 6399465
(2Z)-2-hydroxyimino-3-(4-methylphenyl)propanoic acid
CID 14900043
BM 13677
CID 9576809
2-(Hydroxyimino)-3-(4-flurophenyl)propanoic acid
CID 127046270
(2Z)-3-(4-cyanophenyl)-2-hydroxyiminopropanoic acid
CID 127046271
(2Z)-2-hydroxyimino-3-(3-methylphenyl)propanoic acid
CID 127047493
3-(4-Fluorophenyl)-4,5-dihydro-1,2-oxazol-5-one
CID 53425269
(Z)-ethyl 4-(hydroxyimino)-3-phenylpentanoate
CID 5914219
(2Z)-2-hydroxyimino-3-(2-methylphenyl)propanoic acid
CID 127047494

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-hydroxyimino-3-phenylpropanoate?
The IUPAC name of methyl (2E)-2-hydroxyimino-3-phenylpropanoate (CID 91622030) is methyl (2E)-2-hydroxyimino-3-phenylpropanoate.
What is the SMILES notation for methyl (2E)-2-hydroxyimino-3-phenylpropanoate?
The canonical SMILES for methyl (2E)-2-hydroxyimino-3-phenylpropanoate is COC(=O)/C(Cc1ccccc1)=N/O.
What is the InChIKey of methyl (2E)-2-hydroxyimino-3-phenylpropanoate?
The InChIKey is DNPNDVKAAGUEOL-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-10(12)9(11-13)7-8-5-3-2-4-6-8/h2-6,13H,7H2,1H3/b11-9+.
What are the key properties of methyl (2E)-2-hydroxyimino-3-phenylpropanoate?
methyl (2E)-2-hydroxyimino-3-phenylpropanoate has a molecular weight of 193.20 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-hydroxyimino-3-phenylpropanoate is sourced from PubChem (CID 91622030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).