2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid

C10H16N4O3 — CID 55241521

IUPAC2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid
SMILESCc1nn(C)c(N(C)C(C)C(=O)O)c1C(N)=O
InChIInChI=1S/C10H16N4O3/c1-5-7(8(11)15)9(14(4)12-5)13(3)6(2)10(16)17/h6H,1-4H3,(H2,11,15)(H,16,17)
InChIKeyIQBKJMDTLFQNLP-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.26
Rot. Bonds4

About 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid

2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid (PubChem CID 55241521) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid
PubChem CID55241521
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid
SMILESCc1nn(C)c(N(C)C(C)C(=O)O)c1C(N)=O
InChIInChI=1S/C10H16N4O3/c1-5-7(8(11)15)9(14(4)12-5)13(3)6(2)10(16)17/h6H,1-4H3,(H2,11,15)(H,16,17)
InChIKeyIQBKJMDTLFQNLP-UHFFFAOYSA-N
XLogP-0.26
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid?
The IUPAC name of 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid (CID 55241521) is 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid is Cc1nn(C)c(N(C)C(C)C(=O)O)c1C(N)=O.
What is the InChIKey of 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid?
The InChIKey is IQBKJMDTLFQNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-5-7(8(11)15)9(14(4)12-5)13(3)6(2)10(16)17/h6H,1-4H3,(H2,11,15)(H,16,17).
What are the key properties of 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid?
2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]propanoic acid is sourced from PubChem (CID 55241521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).