(2S,3R)-3-hydroxy-3-methylpyrrolidine-2-carboxylic acid

C6H11NO3 — CID 11171047

IUPAC(2S,3R)-3-hydroxy-3-methylpyrrolidine-2-carboxylic acid
SMILESC[C@@]1(O)CCN[C@@H]1C(=O)O
InChIInChI=1S/C6H11NO3/c1-6(10)2-3-7-4(6)5(8)9/h4,7,10H,2-3H2,1H3,(H,8,9)/t4-,6-/m1/s1
InChIKeyZMUDOSKROAVKMK-INEUFUBQSA-N
MW145.16 g/mol
LogP-0.82
Rot. Bonds1

About (2S,3R)-3-hydroxy-3-methylpyrrolidine-2-carboxylic acid

(2S,3R)-3-hydroxy-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 11171047) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-3-methylpyrrolidine-2-carboxylic acid
PubChem CID11171047
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(2S,3R)-3-hydroxy-3-methylpyrrolidine-2-carboxylic acid
SMILESC[C@@]1(O)CCN[C@@H]1C(=O)O
InChIInChI=1S/C6H11NO3/c1-6(10)2-3-7-4(6)5(8)9/h4,7,10H,2-3H2,1H3,(H,8,9)/t4-,6-/m1/s1
InChIKeyZMUDOSKROAVKMK-INEUFUBQSA-N
XLogP-0.82
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 ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-hydroxy-3-methylpyrrolidine-2-carboxylic acid (CID 11171047) is (2S,3R)-3-hydroxy-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-3-methylpyrrolidine-2-carboxylic acid is C[C@@]1(O)CCN[C@@H]1C(=O)O.
What is the InChIKey of (2S,3R)-3-hydroxy-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is ZMUDOSKROAVKMK-INEUFUBQSA-N. The full InChI is InChI=1S/C6H11NO3/c1-6(10)2-3-7-4(6)5(8)9/h4,7,10H,2-3H2,1H3,(H,8,9)/t4-,6-/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-3-methylpyrrolidine-2-carboxylic acid?
(2S,3R)-3-hydroxy-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 145.16 g/mol, XLogP of -0.82, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11171047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).