(2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carboxylic acid

C10H14N2O3 — CID 119056814

IUPAC(2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carboxylic acid
SMILESCn1nccc1[C@@H]1OCCC[C@H]1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-12-8(4-5-11-12)9-7(10(13)14)3-2-6-15-9/h4-5,7,9H,2-3,6H2,1H3,(H,13,14)/t7-,9-/m1/s1
InChIKeyDEWRNFXTBYEBJE-VXNVDRBHSA-N
MW210.23 g/mol
LogP0.97
Rot. Bonds2

About (2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carboxylic acid

(2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carboxylic acid (PubChem CID 119056814) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carboxylic acid
PubChem CID119056814
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name(2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carboxylic acid
SMILESCn1nccc1[C@@H]1OCCC[C@H]1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-12-8(4-5-11-12)9-7(10(13)14)3-2-6-15-9/h4-5,7,9H,2-3,6H2,1H3,(H,13,14)/t7-,9-/m1/s1
InChIKeyDEWRNFXTBYEBJE-VXNVDRBHSA-N
XLogP0.97
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carboxylic acid (CID 119056814) is (2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carboxylic acid is Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)O.
What is the InChIKey of (2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carboxylic acid?
The InChIKey is DEWRNFXTBYEBJE-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-12-8(4-5-11-12)9-7(10(13)14)3-2-6-15-9/h4-5,7,9H,2-3,6H2,1H3,(H,13,14)/t7-,9-/m1/s1.
What are the key properties of (2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carboxylic acid?
(2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carboxylic acid is sourced from PubChem (CID 119056814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).