(2S,3R)-3-hydroxypyrrolidine-2-carboxylic acid

C5H9NO3 — CID 7098652

IUPAC(2S,3R)-3-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NCC[C@H]1O
InChIInChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
InChIKeyBJBUEDPLEOHJGE-DMTCNVIQSA-N
MW131.13 g/mol
LogP-1.21
Rot. Bonds1

About (2S,3R)-3-hydroxypyrrolidine-2-carboxylic acid

(2S,3R)-3-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 7098652) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (2S,3R)-3-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxypyrrolidine-2-carboxylic acid
PubChem CID7098652
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(2S,3R)-3-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NCC[C@H]1O
InChIInChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
InChIKeyBJBUEDPLEOHJGE-DMTCNVIQSA-N
XLogP-1.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-hydroxypyrrolidine-2-carboxylic acid (CID 7098652) is (2S,3R)-3-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@H]1NCC[C@H]1O.
What is the InChIKey of (2S,3R)-3-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is BJBUEDPLEOHJGE-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxypyrrolidine-2-carboxylic acid?
(2S,3R)-3-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 131.13 g/mol, XLogP of -1.21, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 7098652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).