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

C8H12N4O3 — CID 96613290

IUPAC3-[carbamoyl-(5-methyl-1H-pyrazol-4-yl)amino]propanoic acid
SMILESCc1[nH]ncc1N(CCC(=O)O)C(N)=O
InChIInChI=1S/C8H12N4O3/c1-5-6(4-10-11-5)12(8(9)15)3-2-7(13)14/h4H,2-3H2,1H3,(H2,9,15)(H,10,11)(H,13,14)
InChIKeyYBROSRHJMKHEFJ-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.08
Rot. Bonds4

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

3-[carbamoyl-(5-methyl-1H-pyrazol-4-yl)amino]propanoic acid (PubChem CID 96613290) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-[carbamoyl-(5-methyl-1H-pyrazol-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[carbamoyl-(5-methyl-1H-pyrazol-4-yl)amino]propanoic acid
PubChem CID96613290
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name3-[carbamoyl-(5-methyl-1H-pyrazol-4-yl)amino]propanoic acid
SMILESCc1[nH]ncc1N(CCC(=O)O)C(N)=O
InChIInChI=1S/C8H12N4O3/c1-5-6(4-10-11-5)12(8(9)15)3-2-7(13)14/h4H,2-3H2,1H3,(H2,9,15)(H,10,11)(H,13,14)
InChIKeyYBROSRHJMKHEFJ-UHFFFAOYSA-N
XLogP0.08
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
CID 23006022
3-(N-carbamoyl-3,5-dimethylanilino)propanoic acid
CID 96594786
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
3-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]propanoic acid
CID 61004286
1-amino-3-[methyl-(5-methyl-1H-pyrazol-4-yl)amino]propan-2-one
CID 83817137
3-[methyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]propanoic acid
CID 62039653
3-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 62040744
2-methyl-2-[[2-(5-methyl-1H-pyrazol-4-yl)acetyl]amino]propanoic acid
CID 110836972
3-[methyl-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]amino]propanoic acid
CID 104617625
3-[carbamoyl(pyrimidin-4-yl)amino]propanoic acid
CID 96614711
4-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]pentanoic acid
CID 62047810
2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoic acid
CID 62961134

Frequently Asked Questions

What is the IUPAC name of 3-[carbamoyl-(5-methyl-1H-pyrazol-4-yl)amino]propanoic acid?
The IUPAC name of 3-[carbamoyl-(5-methyl-1H-pyrazol-4-yl)amino]propanoic acid (CID 96613290) is 3-[carbamoyl-(5-methyl-1H-pyrazol-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[carbamoyl-(5-methyl-1H-pyrazol-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[carbamoyl-(5-methyl-1H-pyrazol-4-yl)amino]propanoic acid is Cc1[nH]ncc1N(CCC(=O)O)C(N)=O.
What is the InChIKey of 3-[carbamoyl-(5-methyl-1H-pyrazol-4-yl)amino]propanoic acid?
The InChIKey is YBROSRHJMKHEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-5-6(4-10-11-5)12(8(9)15)3-2-7(13)14/h4H,2-3H2,1H3,(H2,9,15)(H,10,11)(H,13,14).
What are the key properties of 3-[carbamoyl-(5-methyl-1H-pyrazol-4-yl)amino]propanoic acid?
3-[carbamoyl-(5-methyl-1H-pyrazol-4-yl)amino]propanoic acid has a molecular weight of 212.21 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[carbamoyl-(5-methyl-1H-pyrazol-4-yl)amino]propanoic acid is sourced from PubChem (CID 96613290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).