2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid

C11H18N4O3 — CID 121496520

IUPAC2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
SMILESCCN(Cc1cnn(CC)c1)C(=O)NCC(=O)O
InChIInChI=1S/C11H18N4O3/c1-3-14(11(18)12-6-10(16)17)7-9-5-13-15(4-2)8-9/h5,8H,3-4,6-7H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyXCJOXORYSGNIJW-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.52
Rot. Bonds6

About 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid

2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid (PubChem CID 121496520) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
PubChem CID121496520
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
SMILESCCN(Cc1cnn(CC)c1)C(=O)NCC(=O)O
InChIInChI=1S/C11H18N4O3/c1-3-14(11(18)12-6-10(16)17)7-9-5-13-15(4-2)8-9/h5,8H,3-4,6-7H2,1-2H3,(H,12,18)(H,16,17)
InChIKeyXCJOXORYSGNIJW-UHFFFAOYSA-N
XLogP0.52
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic 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-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid?
The IUPAC name of 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid (CID 121496520) is 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid is CCN(Cc1cnn(CC)c1)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid?
The InChIKey is XCJOXORYSGNIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-14(11(18)12-6-10(16)17)7-9-5-13-15(4-2)8-9/h5,8H,3-4,6-7H2,1-2H3,(H,12,18)(H,16,17).
What are the key properties of 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid?
2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[(1-ethylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid is sourced from PubChem (CID 121496520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).