2-amino-3-(2-methoxy-4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)propanoic acid

C12H16N4O3 — CID 82666863

IUPAC2-amino-3-(2-methoxy-4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)propanoic acid
SMILESCOc1nc(C)c2c(CC(N)C(=O)O)cn(C)c2n1
InChIInChI=1S/C12H16N4O3/c1-6-9-7(4-8(13)11(17)18)5-16(2)10(9)15-12(14-6)19-3/h5,8H,4,13H2,1-3H3,(H,17,18)
InChIKeyGFJJVJAIZVOZFX-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.24
Rot. Bonds4

About 2-amino-3-(2-methoxy-4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)propanoic acid

2-amino-3-(2-methoxy-4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)propanoic acid (PubChem CID 82666863) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-amino-3-(2-methoxy-4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-methoxy-4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)propanoic acid
PubChem CID82666863
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC Name2-amino-3-(2-methoxy-4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)propanoic acid
SMILESCOc1nc(C)c2c(CC(N)C(=O)O)cn(C)c2n1
InChIInChI=1S/C12H16N4O3/c1-6-9-7(4-8(13)11(17)18)5-16(2)10(9)15-12(14-6)19-3/h5,8H,4,13H2,1-3H3,(H,17,18)
InChIKeyGFJJVJAIZVOZFX-UHFFFAOYSA-N
XLogP0.24
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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2-amino-3-(7-methoxy-1-methylindol-3-yl)propanoic acid;ethane
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(2S)-2-amino-3-(3-methylimidazol-4-yl)propanoic acid
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2-amino-3-(4,5-dimethoxy-2-propan-2-ylphenyl)propanoic acid
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2-amino-3-(3-methoxy-1,2,4-triazin-6-yl)propanoic acid
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2-amino-3-(3,4-dimethoxy-2,5-dimethylphenyl)propanoic acid
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2-amino-3-(4,5-dimethoxy-2,3-dimethylphenyl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methoxy-4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2-methoxy-4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)propanoic acid (CID 82666863) is 2-amino-3-(2-methoxy-4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-methoxy-4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-methoxy-4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)propanoic acid is COc1nc(C)c2c(CC(N)C(=O)O)cn(C)c2n1.
What is the InChIKey of 2-amino-3-(2-methoxy-4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)propanoic acid?
The InChIKey is GFJJVJAIZVOZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-6-9-7(4-8(13)11(17)18)5-16(2)10(9)15-12(14-6)19-3/h5,8H,4,13H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-3-(2-methoxy-4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)propanoic acid?
2-amino-3-(2-methoxy-4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)propanoic acid has a molecular weight of 264.29 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methoxy-4,7-dimethylpyrrolo[2,3-d]pyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 82666863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).