2-[(5-methoxycarbonylpyrimidin-2-yl)amino]-2-methylpropanoic acid

C10H13N3O4 — CID 83842915

IUPAC2-[(5-methoxycarbonylpyrimidin-2-yl)amino]-2-methylpropanoic acid
SMILESCOC(=O)c1cnc(NC(C)(C)C(=O)O)nc1
InChIInChI=1S/C10H13N3O4/c1-10(2,8(15)16)13-9-11-4-6(5-12-9)7(14)17-3/h4-5H,1-3H3,(H,15,16)(H,11,12,13)
InChIKeyGAAGFDKGRUBWCD-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.54
Rot. Bonds4

About 2-[(5-methoxycarbonylpyrimidin-2-yl)amino]-2-methylpropanoic acid

2-[(5-methoxycarbonylpyrimidin-2-yl)amino]-2-methylpropanoic acid (PubChem CID 83842915) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[(5-methoxycarbonylpyrimidin-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(5-methoxycarbonylpyrimidin-2-yl)amino]-2-methylpropanoic acid
PubChem CID83842915
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[(5-methoxycarbonylpyrimidin-2-yl)amino]-2-methylpropanoic acid
SMILESCOC(=O)c1cnc(NC(C)(C)C(=O)O)nc1
InChIInChI=1S/C10H13N3O4/c1-10(2,8(15)16)13-9-11-4-6(5-12-9)7(14)17-3/h4-5H,1-3H3,(H,15,16)(H,11,12,13)
InChIKeyGAAGFDKGRUBWCD-UHFFFAOYSA-N
XLogP0.54
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(methylamino)pyrimidine-5-carboxylate
CID 74890609
methyl 2-tert-butylpyrimidine-5-carboxylate
CID 11446870
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyrimidine-5-carboxylate
CID 135268117
2-methyl-2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]propanoic acid
CID 116975203
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpropanoic acid
CID 115354713
2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid
CID 122060521
methyl 2-(2,2-difluorocyclopropyl)pyrimidine-5-carboxylate
CID 178137593
methyl 2-phenoxypyrimidine-5-carboxylate
CID 68554907
methyl 2-[4-(5-methoxycarbonylpyrimidin-2-yl)cyclohexyl]pyrimidine-5-carboxylate
CID 170080453
methyl 2-[(5-cyclopentylpyrimidin-2-yl)amino]-2-methylpropanoate
CID 116975801
methyl 6-tert-butylsulfanylpyridine-3-carboxylate
CID 102546899
2-(5-methoxycarbonylpyrimidin-2-yl)ethanethioic S-acid
CID 57468294

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxycarbonylpyrimidin-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(5-methoxycarbonylpyrimidin-2-yl)amino]-2-methylpropanoic acid (CID 83842915) is 2-[(5-methoxycarbonylpyrimidin-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(5-methoxycarbonylpyrimidin-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(5-methoxycarbonylpyrimidin-2-yl)amino]-2-methylpropanoic acid is COC(=O)c1cnc(NC(C)(C)C(=O)O)nc1.
What is the InChIKey of 2-[(5-methoxycarbonylpyrimidin-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is GAAGFDKGRUBWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-10(2,8(15)16)13-9-11-4-6(5-12-9)7(14)17-3/h4-5H,1-3H3,(H,15,16)(H,11,12,13).
What are the key properties of 2-[(5-methoxycarbonylpyrimidin-2-yl)amino]-2-methylpropanoic acid?
2-[(5-methoxycarbonylpyrimidin-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 239.23 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxycarbonylpyrimidin-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 83842915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).