(2R)-2-[2-(2-methylpyrazol-3-yl)ethoxy]propanoic acid

C9H14N2O3 — CID 102999451

IUPAC(2R)-2-[2-(2-methylpyrazol-3-yl)ethoxy]propanoic acid
SMILESC[C@@H](OCCc1ccnn1C)C(=O)O
InChIInChI=1S/C9H14N2O3/c1-7(9(12)13)14-6-4-8-3-5-10-11(8)2/h3,5,7H,4,6H2,1-2H3,(H,12,13)/t7-/m1/s1
InChIKeyGUPREXINSDRHCR-SSDOTTSWSA-N
MW198.22 g/mol
LogP0.45
Rot. Bonds5

About (2R)-2-[2-(2-methylpyrazol-3-yl)ethoxy]propanoic acid

(2R)-2-[2-(2-methylpyrazol-3-yl)ethoxy]propanoic acid (PubChem CID 102999451) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is (2R)-2-[2-(2-methylpyrazol-3-yl)ethoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(2-methylpyrazol-3-yl)ethoxy]propanoic acid
PubChem CID102999451
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name(2R)-2-[2-(2-methylpyrazol-3-yl)ethoxy]propanoic acid
SMILESC[C@@H](OCCc1ccnn1C)C(=O)O
InChIInChI=1S/C9H14N2O3/c1-7(9(12)13)14-6-4-8-3-5-10-11(8)2/h3,5,7H,4,6H2,1-2H3,(H,12,13)/t7-/m1/s1
InChIKeyGUPREXINSDRHCR-SSDOTTSWSA-N
XLogP0.45
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 61499577
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
2-(2-methylpyrazol-3-yl)ethyl methanesulfonate
CID 118545210
(1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
CID 103003611
3-bromo-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid
CID 103002882
4-methoxy-2-[2-(2-methylpyrazol-3-yl)ethoxy]benzoic acid
CID 102999412
1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one
CID 103024265
2-(2-methylpyrazol-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 103002048
N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyacetamide
CID 47414086
11-(2-methylpyrazol-3-yl)undecanoic acid
CID 10778184
2-[(2-methylpyrazol-3-yl)methyl]butanoic acid
CID 83828502

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(2-methylpyrazol-3-yl)ethoxy]propanoic acid?
The IUPAC name of (2R)-2-[2-(2-methylpyrazol-3-yl)ethoxy]propanoic acid (CID 102999451) is (2R)-2-[2-(2-methylpyrazol-3-yl)ethoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[2-(2-methylpyrazol-3-yl)ethoxy]propanoic acid?
The canonical SMILES for (2R)-2-[2-(2-methylpyrazol-3-yl)ethoxy]propanoic acid is C[C@@H](OCCc1ccnn1C)C(=O)O.
What is the InChIKey of (2R)-2-[2-(2-methylpyrazol-3-yl)ethoxy]propanoic acid?
The InChIKey is GUPREXINSDRHCR-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-7(9(12)13)14-6-4-8-3-5-10-11(8)2/h3,5,7H,4,6H2,1-2H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-[2-(2-methylpyrazol-3-yl)ethoxy]propanoic acid?
(2R)-2-[2-(2-methylpyrazol-3-yl)ethoxy]propanoic acid has a molecular weight of 198.22 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(2-methylpyrazol-3-yl)ethoxy]propanoic acid is sourced from PubChem (CID 102999451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).