2-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]butanoic acid

C11H18N4O3 — CID 65226774

IUPAC2-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]butanoic acid
SMILESCCC(CNc1c(C(N)=O)c(C)nn1C)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-4-7(11(17)18)5-13-10-8(9(12)16)6(2)14-15(10)3/h7,13H,4-5H2,1-3H3,(H2,12,16)(H,17,18)
InChIKeyOXZGSNIHHGLGHV-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.35
Rot. Bonds6

About 2-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]butanoic acid

2-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]butanoic acid (PubChem CID 65226774) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]butanoic acid
PubChem CID65226774
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]butanoic acid
SMILESCCC(CNc1c(C(N)=O)c(C)nn1C)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-4-7(11(17)18)5-13-10-8(9(12)16)6(2)14-15(10)3/h7,13H,4-5H2,1-3H3,(H2,12,16)(H,17,18)
InChIKeyOXZGSNIHHGLGHV-UHFFFAOYSA-N
XLogP0.35
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]butanoic acid (CID 65226774) is 2-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]butanoic acid is CCC(CNc1c(C(N)=O)c(C)nn1C)C(=O)O.
What is the InChIKey of 2-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]butanoic acid?
The InChIKey is OXZGSNIHHGLGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-4-7(11(17)18)5-13-10-8(9(12)16)6(2)14-15(10)3/h7,13H,4-5H2,1-3H3,(H2,12,16)(H,17,18).
What are the key properties of 2-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]butanoic acid?
2-[[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)amino]methyl]butanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 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)amino]methyl]butanoic acid is sourced from PubChem (CID 65226774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).