3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride

C8H15ClO3 — CID 162327782

IUPAC3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CC[C@H]1CCCCO1
InChIInChI=1S/C8H14O3.ClH/c9-8(10)5-4-7-3-1-2-6-11-7;/h7H,1-6H2,(H,9,10);1H/t7-;/m1./s1
InChIKeyQKUIYMZQXCZGLV-OGFXRTJISA-N
MW194.66 g/mol
LogP1.84
Rot. Bonds3

About 3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride

3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride (PubChem CID 162327782) has the molecular formula C8H15ClO3 and a molecular weight of 194.66 g/mol. Its IUPAC name is 3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
PubChem CID162327782
Molecular FormulaC8H15ClO3
Molecular Weight194.66 g/mol
Exact Mass194.07
IUPAC Name3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CC[C@H]1CCCCO1
InChIInChI=1S/C8H14O3.ClH/c9-8(10)5-4-7-3-1-2-6-11-7;/h7H,1-6H2,(H,9,10);1H/t7-;/m1./s1
InChIKeyQKUIYMZQXCZGLV-OGFXRTJISA-N
XLogP1.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[carboxymethyl-[3-(oxan-2-yl)propanoyl]amino]acetic acid
CID 63951112
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
1-cyclopropyl-3-(oxan-2-yl)propan-1-one
CID 79416719
7-(oxolan-2-yl)heptanoic acid
CID 174977398
2-[(2R)-oxan-2-yl]acetic acid
CID 6556828
3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid
CID 62217111
3-[3-(oxan-2-yl)propylcarbamoylamino]propanoic acid
CID 122009972
1-(oxan-2-yl)hex-5-yn-3-one
CID 114962049
5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid
CID 126440241
2-[(2R)-4-[3-[(2R)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515315
2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515314

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride?
The IUPAC name of 3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride (CID 162327782) is 3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride is Cl.O=C(O)CC[C@H]1CCCCO1.
What is the InChIKey of 3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride?
The InChIKey is QKUIYMZQXCZGLV-OGFXRTJISA-N. The full InChI is InChI=1S/C8H14O3.ClH/c9-8(10)5-4-7-3-1-2-6-11-7;/h7H,1-6H2,(H,9,10);1H/t7-;/m1./s1.
What are the key properties of 3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride?
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride has a molecular weight of 194.66 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 162327782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).