methyl 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoate

C11H15N3O5S — CID 43623521

IUPACmethyl 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)c1c(SC)nc(=O)[nH]c1C
InChIInChI=1S/C11H15N3O5S/c1-5-7(9(20-3)14-11(18)12-5)8(16)13-6(4-15)10(17)19-2/h6,15H,4H2,1-3H3,(H,13,16)(H,12,14,18)
InChIKeyPOAQOBGHZSNWLM-UHFFFAOYSA-N
MW301.32 g/mol
LogP-0.94
Rot. Bonds5

About methyl 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoate

methyl 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoate (PubChem CID 43623521) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoate
PubChem CID43623521
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Namemethyl 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)c1c(SC)nc(=O)[nH]c1C
InChIInChI=1S/C11H15N3O5S/c1-5-7(9(20-3)14-11(18)12-5)8(16)13-6(4-15)10(17)19-2/h6,15H,4H2,1-3H3,(H,13,16)(H,12,14,18)
InChIKeyPOAQOBGHZSNWLM-UHFFFAOYSA-N
XLogP-0.94
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoate with MolForge

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Related Compounds

3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 43170317
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
CID 43170569
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 43170860
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 43353511
3-methyl-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 43354084
2-[methyl-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
CID 43356358
3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 43357870
2-[[2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]acetyl]amino]acetic acid
CID 43465448
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 43469482
N-(1-hydroxybutan-2-yl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 43500428
1,2-Dihydro-N-(2-hydroxy-1-methylethyl)-4-methyl-6-(methylthio)-2-oxo-5-pyrimidinecarboxamide
CID 43501060
methyl 3-methyl-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]butanoate
CID 43623184

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoate (CID 43623521) is methyl 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoate is COC(=O)C(CO)NC(=O)c1c(SC)nc(=O)[nH]c1C.
What is the InChIKey of methyl 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoate?
The InChIKey is POAQOBGHZSNWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-5-7(9(20-3)14-11(18)12-5)8(16)13-6(4-15)10(17)19-2/h6,15H,4H2,1-3H3,(H,13,16)(H,12,14,18).
What are the key properties of methyl 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoate?
methyl 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoate has a molecular weight of 301.32 g/mol, XLogP of -0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoate is sourced from PubChem (CID 43623521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).