(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl (2S)-2-aminopropanoate

C9H11N5O3 — CID 135986041

IUPAC(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OCn1ncc2c(=O)[nH]cnc21
InChIInChI=1S/C9H11N5O3/c1-5(10)9(16)17-4-14-7-6(2-13-14)8(15)12-3-11-7/h2-3,5H,4,10H2,1H3,(H,11,12,15)/t5-/m0/s1
InChIKeyZTVCLJRUDGFFEC-YFKPBYRVSA-N
MW237.22 g/mol
LogP-1.03
Rot. Bonds3

About (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl (2S)-2-aminopropanoate

(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl (2S)-2-aminopropanoate (PubChem CID 135986041) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl (2S)-2-aminopropanoate.

Molecular Properties

Compound Name(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl (2S)-2-aminopropanoate
PubChem CID135986041
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OCn1ncc2c(=O)[nH]cnc21
InChIInChI=1S/C9H11N5O3/c1-5(10)9(16)17-4-14-7-6(2-13-14)8(15)12-3-11-7/h2-3,5H,4,10H2,1H3,(H,11,12,15)/t5-/m0/s1
InChIKeyZTVCLJRUDGFFEC-YFKPBYRVSA-N
XLogP-1.03
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl (2S)-2-aminopropanoate with MolForge

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Related Compounds

1-(2-hydroxyethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135453822
1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135412639
1-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)ethyl pentanoate
CID 136734711
1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135876286
N-[4-(aminomethyl)-1-oxothian-1-ylidene]-2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 166372011
ethyl 4-methyl-2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole-5-carboxylate
CID 135477230
[1-(2,2-dimethylpropanoyloxymethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate
CID 15115633
6-amino-1-(2-hydroxyethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135455615
1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135408735
ethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate
CID 136597750
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136974867
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135407110

Frequently Asked Questions

What is the IUPAC name of (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl (2S)-2-aminopropanoate?
The IUPAC name of (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl (2S)-2-aminopropanoate (CID 135986041) is (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl (2S)-2-aminopropanoate.
What is the SMILES notation for (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl (2S)-2-aminopropanoate?
The canonical SMILES for (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl (2S)-2-aminopropanoate is C[C@H](N)C(=O)OCn1ncc2c(=O)[nH]cnc21.
What is the InChIKey of (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl (2S)-2-aminopropanoate?
The InChIKey is ZTVCLJRUDGFFEC-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H11N5O3/c1-5(10)9(16)17-4-14-7-6(2-13-14)8(15)12-3-11-7/h2-3,5H,4,10H2,1H3,(H,11,12,15)/t5-/m0/s1.
What are the key properties of (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl (2S)-2-aminopropanoate?
(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl (2S)-2-aminopropanoate has a molecular weight of 237.22 g/mol, XLogP of -1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl (2S)-2-aminopropanoate is sourced from PubChem (CID 135986041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).