ethyl 3-(2-hydroxyphenyl)-3-iminopropanoate

C11H13NO3 — CID 135692474

IUPACethyl 3-(2-hydroxyphenyl)-3-iminopropanoate
SMILES[H]/N=C(\CC(=O)OCC)c1ccccc1O
InChIInChI=1S/C11H13NO3/c1-2-15-11(14)7-9(12)8-5-3-4-6-10(8)13/h3-6,12-13H,2,7H2,1H3/b12-9+
InChIKeyLNDLBQJLRPBDIW-FMIVXFBMSA-N
MW207.23 g/mol
LogP1.71
Rot. Bonds4

About ethyl 3-(2-hydroxyphenyl)-3-iminopropanoate

ethyl 3-(2-hydroxyphenyl)-3-iminopropanoate (PubChem CID 135692474) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is ethyl 3-(2-hydroxyphenyl)-3-iminopropanoate.

Molecular Properties

Compound Nameethyl 3-(2-hydroxyphenyl)-3-iminopropanoate
PubChem CID135692474
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nameethyl 3-(2-hydroxyphenyl)-3-iminopropanoate
SMILES[H]/N=C(\CC(=O)OCC)c1ccccc1O
InChIInChI=1S/C11H13NO3/c1-2-15-11(14)7-9(12)8-5-3-4-6-10(8)13/h3-6,12-13H,2,7H2,1H3/b12-9+
InChIKeyLNDLBQJLRPBDIW-FMIVXFBMSA-N
XLogP1.71
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(2-hydroxy-4-iodophenyl)-3-iminopropanoate
CID 170005335
ethyl N-(2-hydroxybenzoyl)carbamate
CID 175348381
2-(2-hydroxyethanimidoyl)phenol
CID 175349656
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
ethyl 2-[(2-hydroxybenzoyl)-methylamino]acetate
CID 60584835
ethyl 3-imino-5-phenylpentanoate
CID 58878336
ethyl 3-(3-fluoro-2-hydroxyphenyl)-3-oxopropanoate
CID 137332818
ethyl butanoate;phthalic acid
CID 175043682
ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate
CID 11183417
ethyl 3-oxo-3-(2-prop-1-en-2-ylphenyl)propanoate
CID 11333726
ethyl N-[2-(2-hydroxyphenyl)-2-oxoethyl]carbamate
CID 70437866
ethyl 3-(6-cyclopropyl-2-hydroxynaphthalen-1-yl)-3-iminopropanoate
CID 166649108

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-hydroxyphenyl)-3-iminopropanoate?
The IUPAC name of ethyl 3-(2-hydroxyphenyl)-3-iminopropanoate (CID 135692474) is ethyl 3-(2-hydroxyphenyl)-3-iminopropanoate.
What is the SMILES notation for ethyl 3-(2-hydroxyphenyl)-3-iminopropanoate?
The canonical SMILES for ethyl 3-(2-hydroxyphenyl)-3-iminopropanoate is [H]/N=C(\CC(=O)OCC)c1ccccc1O.
What is the InChIKey of ethyl 3-(2-hydroxyphenyl)-3-iminopropanoate?
The InChIKey is LNDLBQJLRPBDIW-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-15-11(14)7-9(12)8-5-3-4-6-10(8)13/h3-6,12-13H,2,7H2,1H3/b12-9+.
What are the key properties of ethyl 3-(2-hydroxyphenyl)-3-iminopropanoate?
ethyl 3-(2-hydroxyphenyl)-3-iminopropanoate has a molecular weight of 207.23 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-hydroxyphenyl)-3-iminopropanoate is sourced from PubChem (CID 135692474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).