3-[4-(carboxymethyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid

C9H12N2O4 — CID 10375876

IUPAC3-[4-(carboxymethyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid
SMILESCc1[nH]nc(CCC(=O)O)c1CC(=O)O
InChIInChI=1S/C9H12N2O4/c1-5-6(4-9(14)15)7(11-10-5)2-3-8(12)13/h2-4H2,1H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeySXQZTEAPMWKYMJ-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.36
Rot. Bonds5

About 3-[4-(carboxymethyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid

3-[4-(carboxymethyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid (PubChem CID 10375876) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 3-[4-(carboxymethyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(carboxymethyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid
PubChem CID10375876
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name3-[4-(carboxymethyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid
SMILESCc1[nH]nc(CCC(=O)O)c1CC(=O)O
InChIInChI=1S/C9H12N2O4/c1-5-6(4-9(14)15)7(11-10-5)2-3-8(12)13/h2-4H2,1H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeySXQZTEAPMWKYMJ-UHFFFAOYSA-N
XLogP0.36
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(carboxymethyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid?
The IUPAC name of 3-[4-(carboxymethyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid (CID 10375876) is 3-[4-(carboxymethyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[4-(carboxymethyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid?
The canonical SMILES for 3-[4-(carboxymethyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid is Cc1[nH]nc(CCC(=O)O)c1CC(=O)O.
What is the InChIKey of 3-[4-(carboxymethyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid?
The InChIKey is SXQZTEAPMWKYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-5-6(4-9(14)15)7(11-10-5)2-3-8(12)13/h2-4H2,1H3,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 3-[4-(carboxymethyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid?
3-[4-(carboxymethyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid has a molecular weight of 212.20 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(carboxymethyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid is sourced from PubChem (CID 10375876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).