2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid

C7H10N2O4 — CID 170825003

IUPAC2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid
SMILESCn1nccc1C(O)C(O)C(=O)O
InChIInChI=1S/C7H10N2O4/c1-9-4(2-3-8-9)5(10)6(11)7(12)13/h2-3,5-6,10-11H,1H3,(H,12,13)
InChIKeyKQKMIBBYFQXTNU-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.10
Rot. Bonds3

About 2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid

2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid (PubChem CID 170825003) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid
PubChem CID170825003
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid
SMILESCn1nccc1C(O)C(O)C(=O)O
InChIInChI=1S/C7H10N2O4/c1-9-4(2-3-8-9)5(10)6(11)7(12)13/h2-3,5-6,10-11H,1H3,(H,12,13)
InChIKeyKQKMIBBYFQXTNU-UHFFFAOYSA-N
XLogP-1.10
TPSA95.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid?
The IUPAC name of 2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid (CID 170825003) is 2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid is Cn1nccc1C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid?
The InChIKey is KQKMIBBYFQXTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-9-4(2-3-8-9)5(10)6(11)7(12)13/h2-3,5-6,10-11H,1H3,(H,12,13).
What are the key properties of 2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid?
2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid has a molecular weight of 186.17 g/mol, XLogP of -1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid is sourced from PubChem (CID 170825003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).