(2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride

C11H14ClNO2 — CID 67353931

IUPAC(2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1NCC[C@H]1c1ccccc1
InChIInChI=1S/C11H13NO2.ClH/c13-11(14)10-9(6-7-12-10)8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2,(H,13,14);1H/t9-,10-;/m0./s1
InChIKeyCUAVFLWYXFQKBH-IYPAPVHQSA-N
MW227.69 g/mol
LogP1.64
Rot. Bonds2

About (2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride

(2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 67353931) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID67353931
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1NCC[C@H]1c1ccccc1
InChIInChI=1S/C11H13NO2.ClH/c13-11(14)10-9(6-7-12-10)8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2,(H,13,14);1H/t9-,10-;/m0./s1
InChIKeyCUAVFLWYXFQKBH-IYPAPVHQSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 131632798
(2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 97001038
(2S,3S)-3-(3-methylphenyl)pyrrolidine-2-carboxylic acid
CID 124509776
2-methyl-1-[(2S,3R)-3-phenylpyrrolidin-2-yl]propan-1-one
CID 59054861
2-methyl-1-[(2S,3S)-3-phenylpyrrolidin-2-yl]propan-1-one
CID 59969688
methyl 3-phenylpyrrolidine-2-carboxylate
CID 18663579
(2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 70380425
(2R,3S)-3-(2-bromophenyl)pyrrolidine-2-carboxylic acid
CID 131873357
3-(3,5-difluorophenyl)pyrrolidine-2-carboxylic acid
CID 106534590
3-naphthalen-1-ylpyrrolidine-2-carboxylic acid
CID 79337694
(2S,3R)-3-(3-carboxy-5-phenylmethoxyphenyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 78320617
3-(3-carboxyphenyl)piperidine-2-carboxylic acid
CID 165483280

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride (CID 67353931) is (2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@H]1NCC[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is CUAVFLWYXFQKBH-IYPAPVHQSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c13-11(14)10-9(6-7-12-10)8-4-2-1-3-5-8;/h1-5,9-10,12H,6-7H2,(H,13,14);1H/t9-,10-;/m0./s1.
What are the key properties of (2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride?
(2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 67353931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).