3,4-dihydroxy-1-propylpyrrolidine-2-carboxylic acid

C8H15NO4 — CID 59867956

IUPAC3,4-dihydroxy-1-propylpyrrolidine-2-carboxylic acid
SMILESCCCN1CC(O)C(O)C1C(=O)O
InChIInChI=1S/C8H15NO4/c1-2-3-9-4-5(10)7(11)6(9)8(12)13/h5-7,10-11H,2-4H2,1H3,(H,12,13)
InChIKeyZFRMYMIGTQOZHL-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.11
Rot. Bonds3

About 3,4-dihydroxy-1-propylpyrrolidine-2-carboxylic acid

3,4-dihydroxy-1-propylpyrrolidine-2-carboxylic acid (PubChem CID 59867956) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3,4-dihydroxy-1-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3,4-dihydroxy-1-propylpyrrolidine-2-carboxylic acid
PubChem CID59867956
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name3,4-dihydroxy-1-propylpyrrolidine-2-carboxylic acid
SMILESCCCN1CC(O)C(O)C1C(=O)O
InChIInChI=1S/C8H15NO4/c1-2-3-9-4-5(10)7(11)6(9)8(12)13/h5-7,10-11H,2-4H2,1H3,(H,12,13)
InChIKeyZFRMYMIGTQOZHL-UHFFFAOYSA-N
XLogP-1.11
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Oxaceprol
CID 65784
Betonicine
CID 164642
4-hydroxy-N-methylproline
CID 11768700
(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 9860390
Turicine
CID 6560290
(2s,4r)-4-Hydroxy-1,1-Dimethylpyrrolidinium-2-Carboxylate
CID 164643
(2R,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 667435
(4S)-4-Hydroxy-1-methyl-D-proline
CID 12313446
(2R,4S)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate
CID 6604261
1-Acetyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 538341
(2S)-1-acetyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 2729005
L-Turicine
CID 1550239

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-1-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 3,4-dihydroxy-1-propylpyrrolidine-2-carboxylic acid (CID 59867956) is 3,4-dihydroxy-1-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3,4-dihydroxy-1-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 3,4-dihydroxy-1-propylpyrrolidine-2-carboxylic acid is CCCN1CC(O)C(O)C1C(=O)O.
What is the InChIKey of 3,4-dihydroxy-1-propylpyrrolidine-2-carboxylic acid?
The InChIKey is ZFRMYMIGTQOZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-2-3-9-4-5(10)7(11)6(9)8(12)13/h5-7,10-11H,2-4H2,1H3,(H,12,13).
What are the key properties of 3,4-dihydroxy-1-propylpyrrolidine-2-carboxylic acid?
3,4-dihydroxy-1-propylpyrrolidine-2-carboxylic acid has a molecular weight of 189.21 g/mol, XLogP of -1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-1-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 59867956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).