methyl 3-(3-hydroxyphenyl)-2-(methoxyamino)prop-2-enoate

C11H13NO4 — CID 57111234

IUPACmethyl 3-(3-hydroxyphenyl)-2-(methoxyamino)prop-2-enoate
SMILESCONC(=Cc1cccc(O)c1)C(=O)OC
InChIInChI=1S/C11H13NO4/c1-15-11(14)10(12-16-2)7-8-4-3-5-9(13)6-8/h3-7,12-13H,1-2H3
InChIKeyCEPHSJPPQOMRFQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.06
Rot. Bonds4

About methyl 3-(3-hydroxyphenyl)-2-(methoxyamino)prop-2-enoate

methyl 3-(3-hydroxyphenyl)-2-(methoxyamino)prop-2-enoate (PubChem CID 57111234) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 3-(3-hydroxyphenyl)-2-(methoxyamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(3-hydroxyphenyl)-2-(methoxyamino)prop-2-enoate
PubChem CID57111234
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl 3-(3-hydroxyphenyl)-2-(methoxyamino)prop-2-enoate
SMILESCONC(=Cc1cccc(O)c1)C(=O)OC
InChIInChI=1S/C11H13NO4/c1-15-11(14)10(12-16-2)7-8-4-3-5-9(13)6-8/h3-7,12-13H,1-2H3
InChIKeyCEPHSJPPQOMRFQ-UHFFFAOYSA-N
XLogP1.06
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-3-(3-bromophenyl)-2-(methoxyamino)prop-2-enoate
CID 143299648
methane;methyl (Z)-3-(3-bromophenyl)-2-(methoxyamino)prop-2-enoate
CID 143299647
[3-[3-methoxy-2-(methoxyamino)-3-oxoprop-1-enyl]phenyl] 3-chlorobenzoate
CID 57290628
methyl (Z)-3-(3-bromophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoate
CID 59021843
3-[(Z)-2-aminoprop-1-enyl]phenol
CID 145337381
methyl (Z)-3-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 69328577
methyl (2E,4E)-5-(3-hydroxyphenyl)-2-methoxypenta-2,4-dienoate
CID 139785088
3-hydroxybenzaldehyde;methoxymethane
CID 163225851
methyl 2-(3-hydroxyphenyl)-2-oxoacetate
CID 19099743
methyl 2-amino-3-(3-methoxyphenyl)prop-2-enoate
CID 141072187
methyl 3-(3-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 86751161
ethyl 2-cyano-3-(3-hydroxyphenyl)prop-2-enoate
CID 733994

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-hydroxyphenyl)-2-(methoxyamino)prop-2-enoate?
The IUPAC name of methyl 3-(3-hydroxyphenyl)-2-(methoxyamino)prop-2-enoate (CID 57111234) is methyl 3-(3-hydroxyphenyl)-2-(methoxyamino)prop-2-enoate.
What is the SMILES notation for methyl 3-(3-hydroxyphenyl)-2-(methoxyamino)prop-2-enoate?
The canonical SMILES for methyl 3-(3-hydroxyphenyl)-2-(methoxyamino)prop-2-enoate is CONC(=Cc1cccc(O)c1)C(=O)OC.
What is the InChIKey of methyl 3-(3-hydroxyphenyl)-2-(methoxyamino)prop-2-enoate?
The InChIKey is CEPHSJPPQOMRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-11(14)10(12-16-2)7-8-4-3-5-9(13)6-8/h3-7,12-13H,1-2H3.
What are the key properties of methyl 3-(3-hydroxyphenyl)-2-(methoxyamino)prop-2-enoate?
methyl 3-(3-hydroxyphenyl)-2-(methoxyamino)prop-2-enoate has a molecular weight of 223.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-hydroxyphenyl)-2-(methoxyamino)prop-2-enoate is sourced from PubChem (CID 57111234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).