2-[ethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]-2-methylpropanoic acid

C13H22N4O3 — CID 62821496

IUPAC2-[ethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NC(C)Cn1cccn1)C(C)(C)C(=O)O
InChIInChI=1S/C13H22N4O3/c1-5-17(13(3,4)11(18)19)12(20)15-10(2)9-16-8-6-7-14-16/h6-8,10H,5,9H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyOALKYENWCRIJMU-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.17
Rot. Bonds6

About 2-[ethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]-2-methylpropanoic acid

2-[ethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]-2-methylpropanoic acid (PubChem CID 62821496) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[ethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]-2-methylpropanoic acid
PubChem CID62821496
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name2-[ethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)NC(C)Cn1cccn1)C(C)(C)C(=O)O
InChIInChI=1S/C13H22N4O3/c1-5-17(13(3,4)11(18)19)12(20)15-10(2)9-16-8-6-7-14-16/h6-8,10H,5,9H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyOALKYENWCRIJMU-UHFFFAOYSA-N
XLogP1.17
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 115583841
2-[2-methoxyethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 79272272
2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54951710
1-tert-butyl-5-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-3-carboxamide
CID 47055350
2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide
CID 62854654
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94178029
3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 61460931
1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61460902
2-[ethyl-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 55123852
2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid
CID 61462644
1-cyclopropyl-1-[(4-hydroxyphenyl)methyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94174687
N-[(2R)-1-pyrazol-1-ylpropan-2-yl]azetidine-1-carboxamide
CID 94031085

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]-2-methylpropanoic acid (CID 62821496) is 2-[ethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]-2-methylpropanoic acid is CCN(C(=O)NC(C)Cn1cccn1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]-2-methylpropanoic acid?
The InChIKey is OALKYENWCRIJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-5-17(13(3,4)11(18)19)12(20)15-10(2)9-16-8-6-7-14-16/h6-8,10H,5,9H2,1-4H3,(H,15,20)(H,18,19).
What are the key properties of 2-[ethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]-2-methylpropanoic acid?
2-[ethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]-2-methylpropanoic acid has a molecular weight of 282.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1-pyrazol-1-ylpropan-2-ylcarbamoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62821496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).