2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid

C10H16N4O4 — CID 66176150

IUPAC2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid
SMILESCC(O)(CNC(=O)NCCn1cccn1)C(=O)O
InChIInChI=1S/C10H16N4O4/c1-10(18,8(15)16)7-12-9(17)11-4-6-14-5-2-3-13-14/h2-3,5,18H,4,6-7H2,1H3,(H,15,16)(H2,11,12,17)
InChIKeySVTXJCHGRKJNQI-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.98
Rot. Bonds6

About 2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid

2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid (PubChem CID 66176150) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid
PubChem CID66176150
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid
SMILESCC(O)(CNC(=O)NCCn1cccn1)C(=O)O
InChIInChI=1S/C10H16N4O4/c1-10(18,8(15)16)7-12-9(17)11-4-6-14-5-2-3-13-14/h2-3,5,18H,4,6-7H2,1H3,(H,15,16)(H2,11,12,17)
InChIKeySVTXJCHGRKJNQI-UHFFFAOYSA-N
XLogP-0.98
TPSA116.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
CID 61461230
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
1-(3-pyrazol-1-ylpropyl)-3-(2,2,2-trifluoroethyl)urea
CID 113223590
2-hydroxy-3-(3-imidazol-1-ylpropylcarbamoylamino)-2-methylpropanoic acid
CID 66172623
2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid
CID 62821667
3-(tert-butylamino)-N-(2-pyrazol-1-ylethyl)propanamide
CID 54951704
1-phenyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747699
2,3-dimethyl-4-oxo-4-(2-pyrazol-1-ylethylcarbamoylamino)but-2-enoic acid
CID 76992391
2-chloro-N-(2-pyrazol-1-ylethylcarbamoyl)acetamide
CID 61461806
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea
CID 128998802
(2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid
CID 107826754
4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
CID 61460027

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid (CID 66176150) is 2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid is CC(O)(CNC(=O)NCCn1cccn1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid?
The InChIKey is SVTXJCHGRKJNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-10(18,8(15)16)7-12-9(17)11-4-6-14-5-2-3-13-14/h2-3,5,18H,4,6-7H2,1H3,(H,15,16)(H2,11,12,17).
What are the key properties of 2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid?
2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid has a molecular weight of 256.26 g/mol, XLogP of -0.98, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(2-pyrazol-1-ylethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 66176150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).