2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid

C9H13N3O4 — CID 82662650

IUPAC2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid
SMILESCOc1ncc(CC(N)C(=O)O)c(OC)n1
InChIInChI=1S/C9H13N3O4/c1-15-7-5(3-6(10)8(13)14)4-11-9(12-7)16-2/h4,6H,3,10H2,1-2H3,(H,13,14)
InChIKeyJYTTUNITGWYPBZ-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.55
Rot. Bonds5

About 2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid

2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid (PubChem CID 82662650) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid
PubChem CID82662650
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid
SMILESCOc1ncc(CC(N)C(=O)O)c(OC)n1
InChIInChI=1S/C9H13N3O4/c1-15-7-5(3-6(10)8(13)14)4-11-9(12-7)16-2/h4,6H,3,10H2,1-2H3,(H,13,14)
InChIKeyJYTTUNITGWYPBZ-UHFFFAOYSA-N
XLogP-0.55
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(3-methoxy-1,2,4-triazin-6-yl)propanoic acid
CID 83831468
4-(2,4-dimethoxypyrimidin-5-yl)butanoic acid
CID 105483714
(2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid
CID 26792673
(2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid
CID 169025372
2-amino-3-(5-fluoro-6-iodo-2-methoxypyrimidin-4-yl)propanoic acid
CID 178095887
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
(E)-[4-[(2,4-dimethoxypyrimidin-5-yl)methyl]-1-fluoro-3,6-dimethylheptan-2-ylidene]hydrazine
CID 167110254
2-amino-3-(2-methoxy-4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)propanoic acid
CID 82666863
4-(2,4-dimethoxypyrimidin-5-yl)but-3-enamide
CID 170798259
2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid
CID 130041515
N-[4-(2,4-dimethoxypyrimidin-5-yl)but-3-enyl]acetamide
CID 170489028
2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid
CID 117426372

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid (CID 82662650) is 2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid is COc1ncc(CC(N)C(=O)O)c(OC)n1.
What is the InChIKey of 2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid?
The InChIKey is JYTTUNITGWYPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-15-7-5(3-6(10)8(13)14)4-11-9(12-7)16-2/h4,6H,3,10H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid?
2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid has a molecular weight of 227.22 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4-dimethoxypyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 82662650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).