2-amino-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoic acid

C9H13N3O3 — CID 65442415

IUPAC2-amino-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoic acid
SMILESCc1cc(C)n(CC(N)C(=O)O)c(=O)n1
InChIInChI=1S/C9H13N3O3/c1-5-3-6(2)12(9(15)11-5)4-7(10)8(13)14/h3,7H,4,10H2,1-2H3,(H,13,14)
InChIKeyUUBSCASOBIDDJR-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.73
Rot. Bonds3

About 2-amino-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoic acid

2-amino-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoic acid (PubChem CID 65442415) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-amino-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoic acid
PubChem CID65442415
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-amino-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoic acid
SMILESCc1cc(C)n(CC(N)C(=O)O)c(=O)n1
InChIInChI=1S/C9H13N3O3/c1-5-3-6(2)12(9(15)11-5)4-7(10)8(13)14/h3,7H,4,10H2,1-2H3,(H,13,14)
InChIKeyUUBSCASOBIDDJR-UHFFFAOYSA-N
XLogP-0.73
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)propanoic acid hydrochloride
CID 16417864
3-(4,6-Dimethyl-2-oxo-2H-pyrimidin-1-yl)-propionic acid
CID 6484627
2-(4,6-Dimethyl-2-oxopyrimidin-1-yl)propanoic acid
CID 16783736
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid
CID 60773691
2-Acetamido-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoic acid
CID 64583090
Methyl 2-acetamido-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 65442221
2-Amino-3-(5-bromo-4,6-dimethyl-2-oxopyrimidin-1-yl)propanoic acid
CID 81691869
2-Amino-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
CID 81941419
2-Amino-3-(4-methyl-2-oxopyrimidin-1-yl)propanoic acid
CID 130485204

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoic acid (CID 65442415) is 2-amino-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoic acid is Cc1cc(C)n(CC(N)C(=O)O)c(=O)n1.
What is the InChIKey of 2-amino-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoic acid?
The InChIKey is UUBSCASOBIDDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5-3-6(2)12(9(15)11-5)4-7(10)8(13)14/h3,7H,4,10H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoic acid?
2-amino-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoic acid has a molecular weight of 211.22 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 65442415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).