methyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate

C10H12N2O4 — CID 43407026

IUPACmethyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate
SMILESCOC(=O)C(CO)NC(=O)c1ccncc1
InChIInChI=1S/C10H12N2O4/c1-16-10(15)8(6-13)12-9(14)7-2-4-11-5-3-7/h2-5,8,13H,6H2,1H3,(H,12,14)
InChIKeyWPOFBRMKKJISJL-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.65
Rot. Bonds4

About methyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate

methyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate (PubChem CID 43407026) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate
PubChem CID43407026
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Namemethyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate
SMILESCOC(=O)C(CO)NC(=O)c1ccncc1
InChIInChI=1S/C10H12N2O4/c1-16-10(15)8(6-13)12-9(14)7-2-4-11-5-3-7/h2-5,8,13H,6H2,1H3,(H,12,14)
InChIKeyWPOFBRMKKJISJL-UHFFFAOYSA-N
XLogP-0.65
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-hydroxy-2-[[4-(hydroxymethyl)benzoyl]amino]propanoate
CID 43407091
methyl 2-[(4-ethynylbenzoyl)amino]-3-hydroxypropanoate
CID 123386336
methyl (2S)-3-hydroxy-2-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 9277876
N-[3-hydroxy-1-oxo-1-(2-oxopropylamino)propan-2-yl]pyridine-4-carboxamide;methanol
CID 143631497
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-hydroxypropanoate
CID 9277507
methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate
CID 9277581
methyl 3-hydroxy-2-[(2-methoxypyridine-3-carbonyl)amino]propanoate
CID 43423436
methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-hydroxypropanoate
CID 20624102
methyl (2S)-3-hydroxy-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]propanoate
CID 9278088
methyl 2-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxypropanoate
CID 81472391
4-methyl-2-(pyridine-4-carbonylamino)pentanoic acid
CID 16777118
methyl 2-hydroxy-3-(pyridine-4-carbonylamino)propanoate
CID 103879367

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate?
The IUPAC name of methyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate (CID 43407026) is methyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate is COC(=O)C(CO)NC(=O)c1ccncc1.
What is the InChIKey of methyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate?
The InChIKey is WPOFBRMKKJISJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-16-10(15)8(6-13)12-9(14)7-2-4-11-5-3-7/h2-5,8,13H,6H2,1H3,(H,12,14).
What are the key properties of methyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate?
methyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate has a molecular weight of 224.22 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(pyridine-4-carbonylamino)propanoate is sourced from PubChem (CID 43407026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).