2-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid

C10H14N2O3 — CID 83858820

IUPAC2-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1n[nH]c2c1COCC2
InChIInChI=1S/C10H14N2O3/c1-10(2,9(13)14)8-6-5-15-4-3-7(6)11-12-8/h3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyHCNNXPKAIZMBJW-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.84
Rot. Bonds2

About 2-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid

2-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid (PubChem CID 83858820) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid
PubChem CID83858820
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid
SMILESCC(C)(C(=O)O)c1n[nH]c2c1COCC2
InChIInChI=1S/C10H14N2O3/c1-10(2,9(13)14)8-6-5-15-4-3-7(6)11-12-8/h3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyHCNNXPKAIZMBJW-UHFFFAOYSA-N
XLogP0.84
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid
CID 21258060
3-(Methoxymethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 71222975
2-(6,6-Dimethyl-1,4,5,7-tetrahydroindazol-3-yl)acetic acid
CID 83863635
Ethyl 7-methyl-3-propan-2-yl-2,4,5,6-tetrahydroindazole-7-carboxylate
CID 146330889
3-(1,4,5,7-Tetrahydropyrano[4,3-d]pyrazol-3-yl)propanoic acid
CID 82399778
2-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)acetic acid
CID 82407932
4-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid
CID 83858814
1-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)propan-2-one
CID 83858817
3-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)butan-2-one
CID 83858818
2-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid
CID 83858819
3-Methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid
CID 83858821
3-(1,4,6,7-Tetrahydropyrano[4,3-c]pyrazol-3-yl)butanoic acid
CID 83858831

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid (CID 83858820) is 2-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid is CC(C)(C(=O)O)c1n[nH]c2c1COCC2.
What is the InChIKey of 2-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid?
The InChIKey is HCNNXPKAIZMBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2,9(13)14)8-6-5-15-4-3-7(6)11-12-8/h3-5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid?
2-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)propanoic acid is sourced from PubChem (CID 83858820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).