(4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid

C6H11NO3 — CID 143979707

IUPAC(4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid
SMILESC[C@@H]1CC(C(=O)O)NC1O
InChIInChI=1S/C6H11NO3/c1-3-2-4(6(9)10)7-5(3)8/h3-5,7-8H,2H2,1H3,(H,9,10)/t3-,4?,5?/m1/s1
InChIKeyMLLFVYWSUAPXOH-JYMNUSQCSA-N
MW145.16 g/mol
LogP-0.61
Rot. Bonds1

About (4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid

(4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid (PubChem CID 143979707) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid
PubChem CID143979707
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid
SMILESC[C@@H]1CC(C(=O)O)NC1O
InChIInChI=1S/C6H11NO3/c1-3-2-4(6(9)10)7-5(3)8/h3-5,7-8H,2H2,1H3,(H,9,10)/t3-,4?,5?/m1/s1
InChIKeyMLLFVYWSUAPXOH-JYMNUSQCSA-N
XLogP-0.61
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 89083298
(2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid
CID 68644523
(4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid
CID 118312111
(2R,4R)-4-methylazetidine-2-carboxylic acid
CID 138039816
(2S,4R)-azetidine-2,4-dicarboxylic acid
CID 2733517
(2S,5R)-5-(carboxymethyl)-4-methylpyrrolidine-2-carboxylic acid
CID 130875085
(2S,7S)-4,6,7-trimethylazepane-2-carboxylic acid
CID 89010279
(2S,4S,4aS,8aS)-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxylic acid
CID 130763500
(2S,4R,6R)-4,6-dimethylpiperidine-2-carboxylic acid
CID 124708734
4-amino-5-methylpyrrolidine-2-carboxylic acid
CID 55289228
(4R,5S)-5-butyl-4-methylpyrrolidine-2-carboxylic acid
CID 70317772
4-methylazetidine-2-carboxylic acid;1,4-xylene
CID 175179759

Frequently Asked Questions

What is the IUPAC name of (4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of (4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid (CID 143979707) is (4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid is C[C@@H]1CC(C(=O)O)NC1O.
What is the InChIKey of (4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid?
The InChIKey is MLLFVYWSUAPXOH-JYMNUSQCSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-2-4(6(9)10)7-5(3)8/h3-5,7-8H,2H2,1H3,(H,9,10)/t3-,4?,5?/m1/s1.
What are the key properties of (4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid?
(4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid has a molecular weight of 145.16 g/mol, XLogP of -0.61, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 143979707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).