1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride

C12H16ClNO3 — CID 138114242

IUPAC1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1C(O)CCN1Cc1ccccc1
InChIInChI=1S/C12H15NO3.ClH/c14-10-6-7-13(11(10)12(15)16)8-9-4-2-1-3-5-9;/h1-5,10-11,14H,6-8H2,(H,15,16);1H
InChIKeyRZHJKFSSCLFIJM-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.13
Rot. Bonds3

About 1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride

1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 138114242) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID138114242
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1C(O)CCN1Cc1ccccc1
InChIInChI=1S/C12H15NO3.ClH/c14-10-6-7-13(11(10)12(15)16)8-9-4-2-1-3-5-9;/h1-5,10-11,14H,6-8H2,(H,15,16);1H
InChIKeyRZHJKFSSCLFIJM-UHFFFAOYSA-N
XLogP1.13
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S,3S)-1-benzyl-3-hydroxypyrrolidine-2-carboxylate
CID 57385727
methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate
CID 129407469
(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
CID 10998222
(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
CID 70556270
2-[(2S)-1-benzylazetidin-2-yl]acetic acid
CID 118703240
1-benzyl-3-methylazetidine-2-carboxylic acid
CID 130020571
(2S,3S,4S)-1-benzyl-3-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 11658718
(2S)-1-[(3-chlorophenyl)methyl]-3-ethylpyrrolidine-2-carboxylic acid
CID 57299733
1-benzyl-5-hydroxyazepane-4-carboxylic acid
CID 83488362
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2S,3R)-3-azido-1-benzylpyrrolidine-2-carboxylate
CID 57385993

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride (CID 138114242) is 1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1C(O)CCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is RZHJKFSSCLFIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3.ClH/c14-10-6-7-13(11(10)12(15)16)8-9-4-2-1-3-5-9;/h1-5,10-11,14H,6-8H2,(H,15,16);1H.
What are the key properties of 1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride?
1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 257.72 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 138114242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).