3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid

C9H13N3O3 — CID 81078067

IUPAC3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid
SMILESCOCC(Nc1ncc(C)cn1)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-6-3-10-9(11-4-6)12-7(5-15-2)8(13)14/h3-4,7H,5H2,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyKVBZZUWEUOMCHB-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.30
Rot. Bonds5

About 3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid

3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid (PubChem CID 81078067) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid
PubChem CID81078067
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid
SMILESCOCC(Nc1ncc(C)cn1)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-6-3-10-9(11-4-6)12-7(5-15-2)8(13)14/h3-4,7H,5H2,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyKVBZZUWEUOMCHB-UHFFFAOYSA-N
XLogP0.30
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]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

3-methoxy-2-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112636213
3-methoxy-2-(pyridin-4-ylamino)propanoic acid
CID 81078676
2-(3-bromo-5-methylanilino)-3-methoxypropanoic acid
CID 107584256
3-methoxy-2-[(1-methylpyrazol-4-yl)amino]propanoic acid
CID 103256739
3-methoxy-2-[(1-methylimidazol-2-yl)amino]propanoic acid
CID 81078507
2-(2-fluoro-4-methylanilino)-3-methoxypropanoic acid
CID 103236307
2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid
CID 122060521
3-methoxy-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propanoic acid
CID 81077962
3-methoxy-2-[(6-nitro-3-pyridinyl)amino]propanoic acid
CID 81078858
2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81078586
2-[(6-ethoxypyrimidin-4-yl)amino]-3-methoxypropanoic acid
CID 81077788
2-[[(2S)-1-hydroxy-3-methoxypropan-2-yl]amino]pyrimidine-5-carboxylic acid
CID 167880425

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid (CID 81078067) is 3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid is COCC(Nc1ncc(C)cn1)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid?
The InChIKey is KVBZZUWEUOMCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-3-10-9(11-4-6)12-7(5-15-2)8(13)14/h3-4,7H,5H2,1-2H3,(H,13,14)(H,10,11,12).
What are the key properties of 3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid?
3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid is sourced from PubChem (CID 81078067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).