methyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate

C11H14N2O4 — CID 113358708

IUPACmethyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)c1ncccc1C
InChIInChI=1S/C11H14N2O4/c1-7-4-3-5-12-9(7)10(15)13-6-8(14)11(16)17-2/h3-5,8,14H,6H2,1-2H3,(H,13,15)
InChIKeyPVLOHNULMRQYOD-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.35
Rot. Bonds4

About methyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate

methyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate (PubChem CID 113358708) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate
PubChem CID113358708
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namemethyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)c1ncccc1C
InChIInChI=1S/C11H14N2O4/c1-7-4-3-5-12-9(7)10(15)13-6-8(14)11(16)17-2/h3-5,8,14H,6H2,1-2H3,(H,13,15)
InChIKeyPVLOHNULMRQYOD-UHFFFAOYSA-N
XLogP-0.35
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[2-methyl-3-(methylamino)propyl]pyridine-2-carboxamide
CID 81479287
N-(2-amino-2-phenylethyl)-3-methylpyridine-2-carboxamide
CID 55176966
2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 107832742
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213
methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate
CID 62338800
N-(2-chloro-4-methylpentyl)-3-methylpyridine-2-carboxamide
CID 107157408
methyl 2-hydroxy-3-(pyridine-4-carbonylamino)propanoate
CID 103879367
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate
CID 113344182
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
(2S)-2-hydroxy-3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
CID 107833697

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate (CID 113358708) is methyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate is COC(=O)C(O)CNC(=O)c1ncccc1C.
What is the InChIKey of methyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate?
The InChIKey is PVLOHNULMRQYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-4-3-5-12-9(7)10(15)13-6-8(14)11(16)17-2/h3-5,8,14H,6H2,1-2H3,(H,13,15).
What are the key properties of methyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate?
methyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate has a molecular weight of 238.24 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 113358708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).