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

C6H11NO3 — CID 11768700

IUPAC(2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
SMILESCN1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5+/m1/s1
InChIKeyFMIPNAUMSPFTHK-UHNVWZDZSA-N
MW145.16 g/mol
LogP-0.86
Rot. Bonds1

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

(2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid (PubChem CID 11768700) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
PubChem CID11768700
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
SMILESCN1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5+/m1/s1
InChIKeyFMIPNAUMSPFTHK-UHNVWZDZSA-N
XLogP-0.86
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid (CID 11768700) is (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid is CN1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid?
The InChIKey is FMIPNAUMSPFTHK-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid has a molecular weight of 145.16 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11768700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).