ethyl 2-formamido-3-hydroxy-3-pyridin-2-ylpropanoate

C11H14N2O4 — CID 66207149

IUPACethyl 2-formamido-3-hydroxy-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(NC=O)C(O)c1ccccn1
InChIInChI=1S/C11H14N2O4/c1-2-17-11(16)9(13-7-14)10(15)8-5-3-4-6-12-8/h3-7,9-10,15H,2H2,1H3,(H,13,14)
InChIKeyZGSWEJUBCCMHQS-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.21
Rot. Bonds6

About ethyl 2-formamido-3-hydroxy-3-pyridin-2-ylpropanoate

ethyl 2-formamido-3-hydroxy-3-pyridin-2-ylpropanoate (PubChem CID 66207149) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethyl 2-formamido-3-hydroxy-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-formamido-3-hydroxy-3-pyridin-2-ylpropanoate
PubChem CID66207149
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Nameethyl 2-formamido-3-hydroxy-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)C(NC=O)C(O)c1ccccn1
InChIInChI=1S/C11H14N2O4/c1-2-17-11(16)9(13-7-14)10(15)8-5-3-4-6-12-8/h3-7,9-10,15H,2H2,1H3,(H,13,14)
InChIKeyZGSWEJUBCCMHQS-UHFFFAOYSA-N
XLogP-0.21
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S,3R)-2-amino-3-hydroxy-3-pyridin-2-ylpropanoate
CID 124510790
ethyl 3-(2,4-dimethylphenyl)-2-formamido-3-hydroxypropanoate
CID 66206133
ethyl N-(dipyridin-2-ylmethyl)carbamate
CID 162768521
ethyl 2-phenyl-2-pyridin-2-ylacetate
CID 10752615
N-[(1R)-1-pyridin-2-ylethyl]formamide
CID 40637873
2-methyl-1-pyridin-2-ylbutan-1-ol
CID 79444533
ethyl 2-[hydroxy(pyridin-2-yl)methyl]prop-2-enoate
CID 15812390
ethyl 3-(5-bromo-2-methoxyphenyl)-2-formamido-3-hydroxypropanoate
CID 66204297
ethyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81401759
ethyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401378
ethyl 3-(3-cyclopropylimidazol-4-yl)-2-formamido-3-hydroxypropanoate
CID 66205925
2,3-dihydroxy-3-pyridin-2-ylpropanamide
CID 171867575

Frequently Asked Questions

What is the IUPAC name of ethyl 2-formamido-3-hydroxy-3-pyridin-2-ylpropanoate?
The IUPAC name of ethyl 2-formamido-3-hydroxy-3-pyridin-2-ylpropanoate (CID 66207149) is ethyl 2-formamido-3-hydroxy-3-pyridin-2-ylpropanoate.
What is the SMILES notation for ethyl 2-formamido-3-hydroxy-3-pyridin-2-ylpropanoate?
The canonical SMILES for ethyl 2-formamido-3-hydroxy-3-pyridin-2-ylpropanoate is CCOC(=O)C(NC=O)C(O)c1ccccn1.
What is the InChIKey of ethyl 2-formamido-3-hydroxy-3-pyridin-2-ylpropanoate?
The InChIKey is ZGSWEJUBCCMHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-17-11(16)9(13-7-14)10(15)8-5-3-4-6-12-8/h3-7,9-10,15H,2H2,1H3,(H,13,14).
What are the key properties of ethyl 2-formamido-3-hydroxy-3-pyridin-2-ylpropanoate?
ethyl 2-formamido-3-hydroxy-3-pyridin-2-ylpropanoate has a molecular weight of 238.24 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formamido-3-hydroxy-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 66207149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).