(2S)-2-(1-methyl-3-oxo-2H-imidazo[4,5-c]pyrazol-4-yl)propanoic acid

C8H10N4O3 — CID 118970261

IUPAC(2S)-2-(1-methyl-3-oxo-2H-imidazo[4,5-c]pyrazol-4-yl)propanoic acid
SMILESC[C@@H](C(=O)O)n1cnc2c1c(=O)[nH]n2C
InChIInChI=1S/C8H10N4O3/c1-4(8(14)15)12-3-9-6-5(12)7(13)10-11(6)2/h3-4H,1-2H3,(H,10,13)(H,14,15)/t4-/m0/s1
InChIKeyLMGIXWWDPUVRKV-BYPYZUCNSA-N
MW210.19 g/mol
LogP-0.29
Rot. Bonds2

About (2S)-2-(1-methyl-3-oxo-2H-imidazo[4,5-c]pyrazol-4-yl)propanoic acid

(2S)-2-(1-methyl-3-oxo-2H-imidazo[4,5-c]pyrazol-4-yl)propanoic acid (PubChem CID 118970261) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is (2S)-2-(1-methyl-3-oxo-2H-imidazo[4,5-c]pyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(1-methyl-3-oxo-2H-imidazo[4,5-c]pyrazol-4-yl)propanoic acid
PubChem CID118970261
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name(2S)-2-(1-methyl-3-oxo-2H-imidazo[4,5-c]pyrazol-4-yl)propanoic acid
SMILESC[C@@H](C(=O)O)n1cnc2c1c(=O)[nH]n2C
InChIInChI=1S/C8H10N4O3/c1-4(8(14)15)12-3-9-6-5(12)7(13)10-11(6)2/h3-4H,1-2H3,(H,10,13)(H,14,15)/t4-/m0/s1
InChIKeyLMGIXWWDPUVRKV-BYPYZUCNSA-N
XLogP-0.29
TPSA92.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-methyl-3-oxo-2H-imidazo[4,5-c]pyrazol-4-yl)propanoic acid?
The IUPAC name of (2S)-2-(1-methyl-3-oxo-2H-imidazo[4,5-c]pyrazol-4-yl)propanoic acid (CID 118970261) is (2S)-2-(1-methyl-3-oxo-2H-imidazo[4,5-c]pyrazol-4-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(1-methyl-3-oxo-2H-imidazo[4,5-c]pyrazol-4-yl)propanoic acid?
The canonical SMILES for (2S)-2-(1-methyl-3-oxo-2H-imidazo[4,5-c]pyrazol-4-yl)propanoic acid is C[C@@H](C(=O)O)n1cnc2c1c(=O)[nH]n2C.
What is the InChIKey of (2S)-2-(1-methyl-3-oxo-2H-imidazo[4,5-c]pyrazol-4-yl)propanoic acid?
The InChIKey is LMGIXWWDPUVRKV-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-4(8(14)15)12-3-9-6-5(12)7(13)10-11(6)2/h3-4H,1-2H3,(H,10,13)(H,14,15)/t4-/m0/s1.
What are the key properties of (2S)-2-(1-methyl-3-oxo-2H-imidazo[4,5-c]pyrazol-4-yl)propanoic acid?
(2S)-2-(1-methyl-3-oxo-2H-imidazo[4,5-c]pyrazol-4-yl)propanoic acid has a molecular weight of 210.19 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-methyl-3-oxo-2H-imidazo[4,5-c]pyrazol-4-yl)propanoic acid is sourced from PubChem (CID 118970261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).