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

C12H20N4O3 — CID 63065792

IUPAC2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCCn1cc(NC(=O)N(CC(=O)O)CC(C)C)cn1
InChIInChI=1S/C12H20N4O3/c1-4-16-7-10(5-13-16)14-12(19)15(6-9(2)3)8-11(17)18/h5,7,9H,4,6,8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyVONHQURYQZGYKB-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.48
Rot. Bonds6

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

2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid (PubChem CID 63065792) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid
PubChem CID63065792
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid
SMILESCCn1cc(NC(=O)N(CC(=O)O)CC(C)C)cn1
InChIInChI=1S/C12H20N4O3/c1-4-16-7-10(5-13-16)14-12(19)15(6-9(2)3)8-11(17)18/h5,7,9H,4,6,8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyVONHQURYQZGYKB-UHFFFAOYSA-N
XLogP1.48
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)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

Related Compounds

2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272091
2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61195310
1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 94779080
3-[tert-butyl-[(1-ethylpyrazol-4-yl)carbamoyl]amino]propanoic acid
CID 61209703
1-butyl-3-(1-ethylpyrazol-4-yl)-1-(2-hydroxyethyl)urea
CID 47200418
2-[2-methylpropyl(3-pyrazol-1-ylpropylcarbamoyl)amino]acetic acid
CID 103995728
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 61209725
N-(1-ethylpyrazol-4-yl)-3-methyl-2-sulfanylbutanamide
CID 107022932
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
(2R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 79009865
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504805

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid (CID 63065792) is 2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid is CCn1cc(NC(=O)N(CC(=O)O)CC(C)C)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is VONHQURYQZGYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-4-16-7-10(5-13-16)14-12(19)15(6-9(2)3)8-11(17)18/h5,7,9H,4,6,8H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid?
2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 268.32 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)carbamoyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63065792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).