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

C11H18N4O3 — CID 63756622

IUPAC2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]-2-methylpropanoic acid
SMILESCc1nn(C)c(N(C)C(C)(C)C(=O)O)c1C(N)=O
InChIInChI=1S/C11H18N4O3/c1-6-7(8(12)16)9(15(5)13-6)14(4)11(2,3)10(17)18/h1-5H3,(H2,12,16)(H,17,18)
InChIKeyDPQRZHRIPKLEEV-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.13
Rot. Bonds4

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

2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]-2-methylpropanoic acid (PubChem CID 63756622) 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)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]-2-methylpropanoic acid
PubChem CID63756622
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]-2-methylpropanoic acid
SMILESCc1nn(C)c(N(C)C(C)(C)C(=O)O)c1C(N)=O
InChIInChI=1S/C11H18N4O3/c1-6-7(8(12)16)9(15(5)13-6)14(4)11(2,3)10(17)18/h1-5H3,(H2,12,16)(H,17,18)
InChIKeyDPQRZHRIPKLEEV-UHFFFAOYSA-N
XLogP0.13
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.13
H-Bond Donors ≤ 52
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)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]-2-methylpropanoic acid (CID 63756622) is 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]-2-methylpropanoic acid is Cc1nn(C)c(N(C)C(C)(C)C(=O)O)c1C(N)=O.
What is the InChIKey of 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]-2-methylpropanoic acid?
The InChIKey is DPQRZHRIPKLEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-6-7(8(12)16)9(15(5)13-6)14(4)11(2,3)10(17)18/h1-5H3,(H2,12,16)(H,17,18).
What are the key properties of 2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]-2-methylpropanoic acid?
2-[(4-carbamoyl-1,3-dimethylpyrazol-5-yl)-methylamino]-2-methylpropanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.13, 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]-2-methylpropanoic acid is sourced from PubChem (CID 63756622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).