3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid

C10H14N2O3 — CID 129462871

IUPAC3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid
SMILESO=C(O)CCc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C10H14N2O3/c13-10(14)2-1-8-5-11-12(6-8)9-3-4-15-7-9/h5-6,9H,1-4,7H2,(H,13,14)/t9-/m0/s1
InChIKeyDTLZMISSXMACDX-VIFPVBQESA-N
MW210.23 g/mol
LogP0.86
Rot. Bonds4

About 3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid

3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid (PubChem CID 129462871) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid
PubChem CID129462871
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid
SMILESO=C(O)CCc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C10H14N2O3/c13-10(14)2-1-8-5-11-12(6-8)9-3-4-15-7-9/h5-6,9H,1-4,7H2,(H,13,14)/t9-/m0/s1
InChIKeyDTLZMISSXMACDX-VIFPVBQESA-N
XLogP0.86
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid?
The IUPAC name of 3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid (CID 129462871) is 3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid is O=C(O)CCc1cnn([C@H]2CCOC2)c1.
What is the InChIKey of 3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid?
The InChIKey is DTLZMISSXMACDX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O3/c13-10(14)2-1-8-5-11-12(6-8)9-3-4-15-7-9/h5-6,9H,1-4,7H2,(H,13,14)/t9-/m0/s1.
What are the key properties of 3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid?
3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 129462871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).