3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]butanoic acid

C10H16N4O3 — CID 63757481

IUPAC3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]butanoic acid
SMILESCc1nn(C)c(NC(C)CC(=O)O)c1C(N)=O
InChIInChI=1S/C10H16N4O3/c1-5(4-7(15)16)12-10-8(9(11)17)6(2)13-14(10)3/h5,12H,4H2,1-3H3,(H2,11,17)(H,15,16)
InChIKeyVPXSDMGCMYPGLA-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.10
Rot. Bonds5

About 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]butanoic acid

3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]butanoic acid (PubChem CID 63757481) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]butanoic acid
PubChem CID63757481
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]butanoic acid
SMILESCc1nn(C)c(NC(C)CC(=O)O)c1C(N)=O
InChIInChI=1S/C10H16N4O3/c1-5(4-7(15)16)12-10-8(9(11)17)6(2)13-14(10)3/h5,12H,4H2,1-3H3,(H2,11,17)(H,15,16)
InChIKeyVPXSDMGCMYPGLA-UHFFFAOYSA-N
XLogP0.10
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]butanoic acid?
The IUPAC name of 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]butanoic acid (CID 63757481) is 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]butanoic acid.
What is the SMILES notation for 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]butanoic acid?
The canonical SMILES for 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]butanoic acid is Cc1nn(C)c(NC(C)CC(=O)O)c1C(N)=O.
What is the InChIKey of 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]butanoic acid?
The InChIKey is VPXSDMGCMYPGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-5(4-7(15)16)12-10-8(9(11)17)6(2)13-14(10)3/h5,12H,4H2,1-3H3,(H2,11,17)(H,15,16).
What are the key properties of 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]butanoic acid?
3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]butanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]butanoic acid is sourced from PubChem (CID 63757481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).