2-methoxy-2-methyl-3-(1H-pyrazol-5-yl)propanoic acid

C8H12N2O3 — CID 164838203

IUPAC2-methoxy-2-methyl-3-(1H-pyrazol-5-yl)propanoic acid
SMILESCOC(C)(Cc1ccn[nH]1)C(=O)O
InChIInChI=1S/C8H12N2O3/c1-8(13-2,7(11)12)5-6-3-4-9-10-6/h3-4H,5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyRNZQGENRFLBFFJ-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.44
Rot. Bonds4

About 2-methoxy-2-methyl-3-(1H-pyrazol-5-yl)propanoic acid

2-methoxy-2-methyl-3-(1H-pyrazol-5-yl)propanoic acid (PubChem CID 164838203) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-methoxy-2-methyl-3-(1H-pyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-methoxy-2-methyl-3-(1H-pyrazol-5-yl)propanoic acid
PubChem CID164838203
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-methoxy-2-methyl-3-(1H-pyrazol-5-yl)propanoic acid
SMILESCOC(C)(Cc1ccn[nH]1)C(=O)O
InChIInChI=1S/C8H12N2O3/c1-8(13-2,7(11)12)5-6-3-4-9-10-6/h3-4H,5H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyRNZQGENRFLBFFJ-UHFFFAOYSA-N
XLogP0.44
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-2-(1H-pyrazol-5-ylmethyl)propanedioic acid
CID 148887075
2-[(2-methylpropan-2-yl)oxy]-2-(1H-pyrazol-5-ylmethyl)propanedioic acid
CID 146282618
methyl 2-(1H-pyrazol-5-yl)acetate
CID 50989154
3-(3,4-dichlorophenyl)-2-methoxy-2-methylpropanoic acid
CID 142389018
N-tert-butyl-2-(1H-pyrazol-5-yl)acetamide
CID 79026363
bis[4-(1H-pyrazol-5-ylmethyl)phenyl]methanone
CID 118549359
4-(2,2-dimethylpropyl)-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 137435463
tert-butyl N-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]carbamate
CID 122492608
methyl (2S)-2-amino-3-(1H-pyrazol-5-yl)propanoate;dihydrochloride
CID 70074311
3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide
CID 175345589
N-methyl-2-(1H-pyrazol-5-yl)acetamide
CID 79004016
2-(1H-pyrazol-5-yl)acetohydrazide
CID 4196186

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-3-(1H-pyrazol-5-yl)propanoic acid?
The IUPAC name of 2-methoxy-2-methyl-3-(1H-pyrazol-5-yl)propanoic acid (CID 164838203) is 2-methoxy-2-methyl-3-(1H-pyrazol-5-yl)propanoic acid.
What is the SMILES notation for 2-methoxy-2-methyl-3-(1H-pyrazol-5-yl)propanoic acid?
The canonical SMILES for 2-methoxy-2-methyl-3-(1H-pyrazol-5-yl)propanoic acid is COC(C)(Cc1ccn[nH]1)C(=O)O.
What is the InChIKey of 2-methoxy-2-methyl-3-(1H-pyrazol-5-yl)propanoic acid?
The InChIKey is RNZQGENRFLBFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-8(13-2,7(11)12)5-6-3-4-9-10-6/h3-4H,5H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 2-methoxy-2-methyl-3-(1H-pyrazol-5-yl)propanoic acid?
2-methoxy-2-methyl-3-(1H-pyrazol-5-yl)propanoic acid has a molecular weight of 184.19 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-3-(1H-pyrazol-5-yl)propanoic acid is sourced from PubChem (CID 164838203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).