methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate

C11H14N2O4 — CID 103960996

IUPACmethyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)Cc1ccncc1
InChIInChI=1S/C11H14N2O4/c1-17-11(16)9(14)7-13-10(15)6-8-2-4-12-5-3-8/h2-5,9,14H,6-7H2,1H3,(H,13,15)
InChIKeyNIYOEOUWGLVSBI-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.73
Rot. Bonds5

About methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate

methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate (PubChem CID 103960996) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate
PubChem CID103960996
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namemethyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)Cc1ccncc1
InChIInChI=1S/C11H14N2O4/c1-17-11(16)9(14)7-13-10(15)6-8-2-4-12-5-3-8/h2-5,9,14H,6-7H2,1H3,(H,13,15)
InChIKeyNIYOEOUWGLVSBI-UHFFFAOYSA-N
XLogP-0.73
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-3-(pyridine-4-carbonylamino)propanoate
CID 103879367
methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate
CID 113344194
N-(2-methylpropyl)-2-pyridin-4-ylacetamide
CID 78975326
methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103879388
N-[(2S)-2-amino-3-methylpentyl]-2-pyridin-4-ylacetamide
CID 67292667
methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103957745
N-(2,3-dimethylbutyl)-2-pyridin-4-ylacetamide
CID 122136270
methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate
CID 103879292
methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate
CID 103879287
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate
CID 113358681
methyl 2-methyl-3-oxo-4-pyridin-4-ylbutanoate
CID 62551773
2-[2-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-2-oxoethyl]benzoic acid
CID 107214934

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate (CID 103960996) is methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate is COC(=O)C(O)CNC(=O)Cc1ccncc1.
What is the InChIKey of methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate?
The InChIKey is NIYOEOUWGLVSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-17-11(16)9(14)7-13-10(15)6-8-2-4-12-5-3-8/h2-5,9,14H,6-7H2,1H3,(H,13,15).
What are the key properties of methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate?
methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate has a molecular weight of 238.24 g/mol, XLogP of -0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate is sourced from PubChem (CID 103960996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).