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

C9H13N3O3 — CID 65441839

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

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

2-amino-3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid (PubChem CID 65441839) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-amino-3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid
PubChem CID65441839
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-amino-3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid
SMILESCc1cc(=O)n(CC(N)C(=O)O)c(C)n1
InChIInChI=1S/C9H13N3O3/c1-5-3-8(13)12(6(2)11-5)4-7(10)9(14)15/h3,7H,4,10H2,1-2H3,(H,14,15)
InChIKeySUWKXAISQKOWDU-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

CID 137286215
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CID 63767935
CID 63767935
CID 63770048
CID 63770048
CID 63770397
CID 63770397
CID 64581111
CID 64581111
CID 64582100
CID 64582100
CID 65441838
CID 65441838
CID 65443611
CID 65443611
CID 66342921
CID 66342921
CID 66343099
CID 66343099
CID 79366666
CID 79366666

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid (CID 65441839) is 2-amino-3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid is Cc1cc(=O)n(CC(N)C(=O)O)c(C)n1.
What is the InChIKey of 2-amino-3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid?
The InChIKey is SUWKXAISQKOWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5-3-8(13)12(6(2)11-5)4-7(10)9(14)15/h3,7H,4,10H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid?
2-amino-3-(2,4-dimethyl-6-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-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 65441839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).