(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride

C6H12ClNO3 — CID 118989202

IUPAC(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCN1C[C@@H](O)C[C@H]1C(=O)O.Cl
InChIInChI=1S/C6H11NO3.ClH/c1-7-3-4(8)2-5(7)6(9)10;/h4-5,8H,2-3H2,1H3,(H,9,10);1H/t4-,5-;/m0./s1
InChIKeyPYNWUHNSSINSOI-FHAQVOQBSA-N
MW181.62 g/mol
LogP-0.44
Rot. Bonds1

About (2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride

(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 118989202) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID118989202
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Name(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCN1C[C@@H](O)C[C@H]1C(=O)O.Cl
InChIInChI=1S/C6H11NO3.ClH/c1-7-3-4(8)2-5(7)6(9)10;/h4-5,8H,2-3H2,1H3,(H,9,10);1H/t4-,5-;/m0./s1
InChIKeyPYNWUHNSSINSOI-FHAQVOQBSA-N
XLogP-0.44
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58820492
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970
(2R)-1,4-dimethylpyrrolidine-2-carboxylic acid
CID 175489667
1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone
CID 59918461
(2R,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxamide
CID 118191009
1,4-dimethylpyrrolidine-2-carboxylic acid;ethane
CID 169199201
(2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid
CID 59097211
(2R,4R)-4-methoxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 66986168
(2S)-4-acetyloxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67766306
1-(2-acetamidoethyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351292
(2S,4R)-1-butyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 67718958
4-hydroxy-1-[hydroxy(methyl)boranyl]pyrrolidine-2-carboxylic acid
CID 23595314

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride (CID 118989202) is (2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride is CN1C[C@@H](O)C[C@H]1C(=O)O.Cl.
What is the InChIKey of (2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is PYNWUHNSSINSOI-FHAQVOQBSA-N. The full InChI is InChI=1S/C6H11NO3.ClH/c1-7-3-4(8)2-5(7)6(9)10;/h4-5,8H,2-3H2,1H3,(H,9,10);1H/t4-,5-;/m0./s1.
What are the key properties of (2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride?
(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 181.62 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 118989202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).