3-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]propanoic acid

C7H9N3O4 — CID 88998072

IUPAC3-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C7H9N3O4/c11-5-3-4(9-10-5)7(14)8-2-1-6(12)13/h3H,1-2H2,(H,8,14)(H,12,13)(H2,9,10,11)
InChIKeyLNBDJAMXAGCAMA-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.09
Rot. Bonds4

About 3-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]propanoic acid

3-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]propanoic acid (PubChem CID 88998072) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 3-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]propanoic acid
PubChem CID88998072
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name3-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C7H9N3O4/c11-5-3-4(9-10-5)7(14)8-2-1-6(12)13/h3H,1-2H2,(H,8,14)(H,12,13)(H2,9,10,11)
InChIKeyLNBDJAMXAGCAMA-UHFFFAOYSA-N
XLogP-1.09
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methyl-3-oxo-1H-pyrazol-2-yl)propanoic acid
CID 19622647
2-(2-carboxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 21501930
Ethyl 3-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]propanoate
CID 70820608
3-[(5-Oxo-1,2-dihydropyrazole-3-carbonyl)amino]butanoic acid
CID 140557770
2-[(2-methyl-3-oxo-1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 166392919

Frequently Asked Questions

What is the IUPAC name of 3-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]propanoic acid (CID 88998072) is 3-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)c1cc(=O)[nH][nH]1.
What is the InChIKey of 3-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]propanoic acid?
The InChIKey is LNBDJAMXAGCAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c11-5-3-4(9-10-5)7(14)8-2-1-6(12)13/h3H,1-2H2,(H,8,14)(H,12,13)(H2,9,10,11).
What are the key properties of 3-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]propanoic acid?
3-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]propanoic acid has a molecular weight of 199.17 g/mol, XLogP of -1.09, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 88998072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).