1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

C13H22N2O5 — CID 106978648

IUPAC1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)N1CC(O)C(O)C1
InChIInChI=1S/C13H22N2O5/c1-2-4-13(11(18)19)5-3-6-15(13)12(20)14-7-9(16)10(17)8-14/h9-10,16-17H,2-8H2,1H3,(H,18,19)
InChIKeySPBGDVSCTKGQDW-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.14
Rot. Bonds3

About 1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106978648) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106978648
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)N1CC(O)C(O)C1
InChIInChI=1S/C13H22N2O5/c1-2-4-13(11(18)19)5-3-6-15(13)12(20)14-7-9(16)10(17)8-14/h9-10,16-17H,2-8H2,1H3,(H,18,19)
InChIKeySPBGDVSCTKGQDW-UHFFFAOYSA-N
XLogP-0.14
TPSA101.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminopiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978284
1-(2-methylthiomorpholine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978600
1-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978545
1-(4-methylazepane-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978424
1-(2-methylpyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978272
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978298
1-(2-ethylpiperidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106978208
1-(2,2-difluoroacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977115
1-(bicyclo[3.1.0]hexane-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977101
1-(2-methylsulfonylacetyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977296
1-[propan-2-yl(propyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978211

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106978648) is 1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)N1CC(O)C(O)C1.
What is the InChIKey of 1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is SPBGDVSCTKGQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-2-4-13(11(18)19)5-3-6-15(13)12(20)14-7-9(16)10(17)8-14/h9-10,16-17H,2-8H2,1H3,(H,18,19).
What are the key properties of 1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxypyrrolidine-1-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106978648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).