methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate

C11H13NO3 — CID 135433741

IUPACmethyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate
SMILESCOC(=O)C(C)/N=C/c1ccccc1O
InChIInChI=1S/C11H13NO3/c1-8(11(14)15-2)12-7-9-5-3-4-6-10(9)13/h3-8,13H,1-2H3/b12-7+
InChIKeyLFCDPJZPSBLLRC-KPKJPENVSA-N
MW207.23 g/mol
LogP1.37
Rot. Bonds3

About methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate

methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate (PubChem CID 135433741) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate
PubChem CID135433741
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate
SMILESCOC(=O)C(C)/N=C/c1ccccc1O
InChIInChI=1S/C11H13NO3/c1-8(11(14)15-2)12-7-9-5-3-4-6-10(9)13/h3-8,13H,1-2H3/b12-7+
InChIKeyLFCDPJZPSBLLRC-KPKJPENVSA-N
XLogP1.37
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid
CID 135440080
methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate
CID 135855183
methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate
CID 13240768
(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-methylpentanoic acid
CID 135753857
methyl (2S)-2-[(2-methoxyphenyl)methylideneamino]-3-methylbutanoate
CID 11482060
2-[(2-aminophenyl)methylideneamino]propanoic acid
CID 170755961
2-[1-(4-methoxyphenyl)ethyliminomethyl]phenol
CID 135629555
2-hydroxy-N-[(2S)-2-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide
CID 139130185
methyl 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanoate
CID 136898417
(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135688184
[(3R)-3-[(2-hydroxyphenyl)methylideneamino]-3-phenylpropyl] acetate
CID 138965852
methyl 2-[(E)-(2-hydroxyphenyl)methylideneamino]oxyacetate
CID 137304074

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate?
The IUPAC name of methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate (CID 135433741) is methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate.
What is the SMILES notation for methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate?
The canonical SMILES for methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate is COC(=O)C(C)/N=C/c1ccccc1O.
What is the InChIKey of methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate?
The InChIKey is LFCDPJZPSBLLRC-KPKJPENVSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(11(14)15-2)12-7-9-5-3-4-6-10(9)13/h3-8,13H,1-2H3/b12-7+.
What are the key properties of methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate?
methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate has a molecular weight of 207.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydroxyphenyl)methylideneamino]propanoate is sourced from PubChem (CID 135433741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).