(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid

C9H11N5O2 — CID 93056813

IUPAC(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid
SMILESC[C@@H](Nc1ncnc2c1cnn2C)C(=O)O
InChIInChI=1S/C9H11N5O2/c1-5(9(15)16)13-7-6-3-12-14(2)8(6)11-4-10-7/h3-5H,1-2H3,(H,15,16)(H,10,11,13)/t5-/m1/s1
InChIKeyYLRCALPUVVFZKY-RXMQYKEDSA-N
MW221.22 g/mol
LogP0.25
Rot. Bonds3

About (2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid

(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid (PubChem CID 93056813) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is (2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid
PubChem CID93056813
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid
SMILESC[C@@H](Nc1ncnc2c1cnn2C)C(=O)O
InChIInChI=1S/C9H11N5O2/c1-5(9(15)16)13-7-6-3-12-14(2)8(6)11-4-10-7/h3-5H,1-2H3,(H,15,16)(H,10,11,13)/t5-/m1/s1
InChIKeyYLRCALPUVVFZKY-RXMQYKEDSA-N
XLogP0.25
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid (CID 93056813) is (2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid is C[C@@H](Nc1ncnc2c1cnn2C)C(=O)O.
What is the InChIKey of (2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is YLRCALPUVVFZKY-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-5(9(15)16)13-7-6-3-12-14(2)8(6)11-4-10-7/h3-5H,1-2H3,(H,15,16)(H,10,11,13)/t5-/m1/s1.
What are the key properties of (2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid?
(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 221.22 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 93056813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).