(2S)-2-(1-methylindazol-3-yl)oxypropanoic acid

C11H12N2O3 — CID 124676429

IUPAC(2S)-2-(1-methylindazol-3-yl)oxypropanoic acid
SMILESC[C@H](Oc1nn(C)c2ccccc12)C(=O)O
InChIInChI=1S/C11H12N2O3/c1-7(11(14)15)16-10-8-5-3-4-6-9(8)13(2)12-10/h3-7H,1-2H3,(H,14,15)/t7-/m0/s1
InChIKeyAYGDOPMCMYDWJF-ZETCQYMHSA-N
MW220.23 g/mol
LogP1.43
Rot. Bonds3

About (2S)-2-(1-methylindazol-3-yl)oxypropanoic acid

(2S)-2-(1-methylindazol-3-yl)oxypropanoic acid (PubChem CID 124676429) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (2S)-2-(1-methylindazol-3-yl)oxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-(1-methylindazol-3-yl)oxypropanoic acid
PubChem CID124676429
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(2S)-2-(1-methylindazol-3-yl)oxypropanoic acid
SMILESC[C@H](Oc1nn(C)c2ccccc12)C(=O)O
InChIInChI=1S/C11H12N2O3/c1-7(11(14)15)16-10-8-5-3-4-6-9(8)13(2)12-10/h3-7H,1-2H3,(H,14,15)/t7-/m0/s1
InChIKeyAYGDOPMCMYDWJF-ZETCQYMHSA-N
XLogP1.43
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylindazol-3-yl)oxypropanoic acid
CID 112757766
(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(1-methylindazol-3-yl)oxypropan-1-one
CID 100816542
(2R)-2-(1-methylindazol-3-yl)oxy-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 100816548
N-(2-cyclopropylethyl)-2-(1-methylindazol-3-yl)oxypropanamide
CID 102567259
(2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
CID 122107924
3-hydroxy-2-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116350
N-(1-methyl-3-propan-2-yloxyindazol-5-yl)benzamide
CID 100830643
(2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid
CID 83195291
2-[(1-benzylindazol-3-yl)methoxy]propanoic acid
CID 163783717
3-methyl-2-[[2-(1-methylindazol-3-yl)acetyl]amino]butanoic acid
CID 122107082
3-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116476
1-methyl-3-prop-2-ynoxyindazole
CID 112757760

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-methylindazol-3-yl)oxypropanoic acid?
The IUPAC name of (2S)-2-(1-methylindazol-3-yl)oxypropanoic acid (CID 124676429) is (2S)-2-(1-methylindazol-3-yl)oxypropanoic acid.
What is the SMILES notation for (2S)-2-(1-methylindazol-3-yl)oxypropanoic acid?
The canonical SMILES for (2S)-2-(1-methylindazol-3-yl)oxypropanoic acid is C[C@H](Oc1nn(C)c2ccccc12)C(=O)O.
What is the InChIKey of (2S)-2-(1-methylindazol-3-yl)oxypropanoic acid?
The InChIKey is AYGDOPMCMYDWJF-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-7(11(14)15)16-10-8-5-3-4-6-9(8)13(2)12-10/h3-7H,1-2H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-(1-methylindazol-3-yl)oxypropanoic acid?
(2S)-2-(1-methylindazol-3-yl)oxypropanoic acid has a molecular weight of 220.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-methylindazol-3-yl)oxypropanoic acid is sourced from PubChem (CID 124676429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).