methyl (2S)-3-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate

C11H14N2O5 — CID 113429223

IUPACmethyl (2S)-3-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](CO)NC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C11H14N2O5/c1-6-3-9(15)7(4-12-6)10(16)13-8(5-14)11(17)18-2/h3-4,8,14H,5H2,1-2H3,(H,12,15)(H,13,16)/t8-/m0/s1
InChIKeyVDMUTTXXMZZRCJ-QMMMGPOBSA-N
MW254.24 g/mol
LogP-1.05
Rot. Bonds4

About methyl (2S)-3-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate

methyl (2S)-3-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate (PubChem CID 113429223) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is methyl (2S)-3-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
PubChem CID113429223
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Namemethyl (2S)-3-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](CO)NC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C11H14N2O5/c1-6-3-9(15)7(4-12-6)10(16)13-8(5-14)11(17)18-2/h3-4,8,14H,5H2,1-2H3,(H,12,15)(H,13,16)/t8-/m0/s1
InChIKeyVDMUTTXXMZZRCJ-QMMMGPOBSA-N
XLogP-1.05
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-3-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate with MolForge

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Related Compounds

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103801419
N-[(3R)-1-methoxy-4-methylpentan-3-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 97320787
N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103804777
N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696527
N-(3-amino-2-hydroxy-3-oxopropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114152739
N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 90091418
N-[1-(dimethylamino)-1-oxopropan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113247214
N-[1-(diethylamino)propan-2-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103718100
methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-hydroxypropanoate
CID 20624102
methyl (2S)-2-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxypropanoate
CID 93038369
N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113242386
methyl 3-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]propanoate
CID 43623509

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-3-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate (CID 113429223) is methyl (2S)-3-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-3-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-3-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate is COC(=O)[C@H](CO)NC(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of methyl (2S)-3-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
The InChIKey is VDMUTTXXMZZRCJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-6-3-9(15)7(4-12-6)10(16)13-8(5-14)11(17)18-2/h3-4,8,14H,5H2,1-2H3,(H,12,15)(H,13,16)/t8-/m0/s1.
What are the key properties of methyl (2S)-3-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate?
methyl (2S)-3-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate has a molecular weight of 254.24 g/mol, XLogP of -1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-hydroxy-2-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 113429223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).