3-hydroxypyrrolidine-3-carboxylic acid;hydrochloride

C5H10ClNO3 — CID 70607496

IUPAC3-hydroxypyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(O)CCNC1
InChIInChI=1S/C5H9NO3.ClH/c7-4(8)5(9)1-2-6-3-5;/h6,9H,1-3H2,(H,7,8);1H
InChIKeyZCTOUMHOZKRENX-UHFFFAOYSA-N
MW167.59 g/mol
LogP-0.78
Rot. Bonds1

About 3-hydroxypyrrolidine-3-carboxylic acid;hydrochloride

3-hydroxypyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 70607496) has the molecular formula C5H10ClNO3 and a molecular weight of 167.59 g/mol. Its IUPAC name is 3-hydroxypyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-hydroxypyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID70607496
Molecular FormulaC5H10ClNO3
Molecular Weight167.59 g/mol
Exact Mass167.03
IUPAC Name3-hydroxypyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(O)CCNC1
InChIInChI=1S/C5H9NO3.ClH/c7-4(8)5(9)1-2-6-3-5;/h6,9H,1-3H2,(H,7,8);1H
InChIKeyZCTOUMHOZKRENX-UHFFFAOYSA-N
XLogP-0.78
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 3-hydroxypyrrolidine-3-carboxylic acid;hydrochloride (CID 70607496) is 3-hydroxypyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-hydroxypyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 3-hydroxypyrrolidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)C1(O)CCNC1.
What is the InChIKey of 3-hydroxypyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is ZCTOUMHOZKRENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.ClH/c7-4(8)5(9)1-2-6-3-5;/h6,9H,1-3H2,(H,7,8);1H.
What are the key properties of 3-hydroxypyrrolidine-3-carboxylic acid;hydrochloride?
3-hydroxypyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 167.59 g/mol, XLogP of -0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 70607496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).