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

C8H15NO3 — CID 45116057

IUPAC(2S,4R)-4-hydroxy-1-propylpyrrolidine-2-carboxylic acid
SMILESCCCN1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C8H15NO3/c1-2-3-9-5-6(10)4-7(9)8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)/t6-,7+/m1/s1
InChIKeyPUPTZHLPJWCWKX-RQJHMYQMSA-N
MW173.21 g/mol
LogP-0.08
Rot. Bonds3

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

(2S,4R)-4-hydroxy-1-propylpyrrolidine-2-carboxylic acid (PubChem CID 45116057) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-propylpyrrolidine-2-carboxylic acid
PubChem CID45116057
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(2S,4R)-4-hydroxy-1-propylpyrrolidine-2-carboxylic acid
SMILESCCCN1C[C@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C8H15NO3/c1-2-3-9-5-6(10)4-7(9)8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)/t6-,7+/m1/s1
InChIKeyPUPTZHLPJWCWKX-RQJHMYQMSA-N
XLogP-0.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.08
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-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-propylpyrrolidine-2-carboxylic acid (CID 45116057) is (2S,4R)-4-hydroxy-1-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-propylpyrrolidine-2-carboxylic acid is CCCN1C[C@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-4-hydroxy-1-propylpyrrolidine-2-carboxylic acid?
The InChIKey is PUPTZHLPJWCWKX-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-3-9-5-6(10)4-7(9)8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-propylpyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-propylpyrrolidine-2-carboxylic acid has a molecular weight of 173.21 g/mol, XLogP of -0.08, 3 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-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 45116057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).