2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid

C9H13N3O3 — CID 136958602

IUPAC2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCc1nc(NC(C)(C)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c1-5-10-6(4-7(13)11-5)12-9(2,3)8(14)15/h4H,1-3H3,(H,14,15)(H2,10,11,12,13)
InChIKeyVHCXWCONOOXLHS-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.35
Rot. Bonds3

About 2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid

2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (PubChem CID 136958602) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
PubChem CID136958602
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCc1nc(NC(C)(C)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c1-5-10-6(4-7(13)11-5)12-9(2,3)8(14)15/h4H,1-3H3,(H,14,15)(H2,10,11,12,13)
InChIKeyVHCXWCONOOXLHS-UHFFFAOYSA-N
XLogP0.35
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136959291
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 136959292
3,3,3-trifluoro-2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136959293
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 137015883
4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136957039
2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958337
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958426
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958428
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958430
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958435
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958437
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958447

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (CID 136958602) is 2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is Cc1nc(NC(C)(C)C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is VHCXWCONOOXLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5-10-6(4-7(13)11-5)12-9(2,3)8(14)15/h4H,1-3H3,(H,14,15)(H2,10,11,12,13).
What are the key properties of 2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 136958602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).