3-methoxy-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]butanoic acid

C11H14N4O4 — CID 103153700

IUPAC3-methoxy-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]butanoic acid
SMILESCOC(CNc1ncnc2onc(C)c12)CC(=O)O
InChIInChI=1S/C11H14N4O4/c1-6-9-10(13-5-14-11(9)19-15-6)12-4-7(18-2)3-8(16)17/h5,7H,3-4H2,1-2H3,(H,16,17)(H,12,13,14)
InChIKeyFXEXWCBCDWQEMM-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.83
Rot. Bonds6

About 3-methoxy-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]butanoic acid

3-methoxy-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]butanoic acid (PubChem CID 103153700) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-methoxy-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]butanoic acid
PubChem CID103153700
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name3-methoxy-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]butanoic acid
SMILESCOC(CNc1ncnc2onc(C)c12)CC(=O)O
InChIInChI=1S/C11H14N4O4/c1-6-9-10(13-5-14-11(9)19-15-6)12-4-7(18-2)3-8(16)17/h5,7H,3-4H2,1-2H3,(H,16,17)(H,12,13,14)
InChIKeyFXEXWCBCDWQEMM-UHFFFAOYSA-N
XLogP0.83
TPSA110.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]but-2-yn-1-ol
CID 100758402
diethyl 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanedioate
CID 20924759
2-[(3-fluorophenyl)methyl]-3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 167751709
(1S)-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]-1-(oxan-4-yl)ethanol
CID 100612013
3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid
CID 103153890
ethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate
CID 20924763
N-[(4-aminophenyl)methyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 116650493
2-ethyl-1-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)butane-1,2-diamine
CID 115306338
3-methyl-N-(piperidin-4-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 55172610
3-methyl-N-[(5-methylpyrazin-2-yl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72882715
N-[(2S)-butan-2-yl]-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzamide
CID 99844668
3-[3-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propoxy]benzoic acid;2,2,2-trifluoroacetic acid
CID 167892764

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of 3-methoxy-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]butanoic acid (CID 103153700) is 3-methoxy-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]butanoic acid is COC(CNc1ncnc2onc(C)c12)CC(=O)O.
What is the InChIKey of 3-methoxy-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]butanoic acid?
The InChIKey is FXEXWCBCDWQEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-6-9-10(13-5-14-11(9)19-15-6)12-4-7(18-2)3-8(16)17/h5,7H,3-4H2,1-2H3,(H,16,17)(H,12,13,14).
What are the key properties of 3-methoxy-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]butanoic acid?
3-methoxy-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]butanoic acid has a molecular weight of 266.26 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 103153700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).