3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride

C8H16ClNO3 — CID 141050342

IUPAC3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CC[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C8H15NO3.ClH/c10-7-5-9-4-3-6(7)1-2-8(11)12;/h6-7,9-10H,1-5H2,(H,11,12);1H/t6-,7-;/m1./s1
InChIKeyWTIYPWREDBZYGG-ZJLYAJKPSA-N
MW209.67 g/mol
LogP0.24
Rot. Bonds3

About 3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride

3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride (PubChem CID 141050342) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is 3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride
PubChem CID141050342
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Name3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride
SMILESCl.O=C(O)CC[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C8H15NO3.ClH/c10-7-5-9-4-3-6(7)1-2-8(11)12;/h6-7,9-10H,1-5H2,(H,11,12);1H/t6-,7-;/m1./s1
InChIKeyWTIYPWREDBZYGG-ZJLYAJKPSA-N
XLogP0.24
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
CID 125181118
methyl 3-(3-hydroxypiperidin-4-yl)propanoate
CID 105442552
3-pyrrolidin-3-ylpropanoic acid
CID 12825648
(3R,4R)-4-aminopiperidin-3-ol;dihydrochloride
CID 154804814
4-aminopiperidin-3-ol
CID 54373786
(3S,4S)-4-ethylpiperidin-3-ol
CID 96732602
3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid
CID 134420583
3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride
CID 174214436
(3R,4S)-4-benzylpiperidin-3-ol;hydrochloride
CID 171688498
2-pyrrolidin-3-ylacetic acid;hydrochloride
CID 42614151
3-[(2S)-piperazin-2-yl]propanoic acid
CID 86334249
4-prop-2-enylpiperidin-3-ol
CID 89139617

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride?
The IUPAC name of 3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride (CID 141050342) is 3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride is Cl.O=C(O)CC[C@@H]1CCNC[C@H]1O.
What is the InChIKey of 3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride?
The InChIKey is WTIYPWREDBZYGG-ZJLYAJKPSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c10-7-5-9-4-3-6(7)1-2-8(11)12;/h6-7,9-10H,1-5H2,(H,11,12);1H/t6-,7-;/m1./s1.
What are the key properties of 3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride?
3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-3-hydroxypiperidin-4-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 141050342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).