1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid

C13H22N2O4 — CID 66256153

IUPAC1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCCCNC1COCC1C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-2-5-14-10-8-19-7-9(10)12(16)15-6-3-4-11(15)13(17)18/h9-11,14H,2-8H2,1H3,(H,17,18)
InChIKeyAAPRJYQHHFPAHA-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.08
Rot. Bonds5

About 1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid

1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 66256153) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID66256153
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCCCNC1COCC1C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-2-5-14-10-8-19-7-9(10)12(16)15-6-3-4-11(15)13(17)18/h9-11,14H,2-8H2,1H3,(H,17,18)
InChIKeyAAPRJYQHHFPAHA-UHFFFAOYSA-N
XLogP0.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpyrrolidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66255960
1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 66267016
[4-(propylamino)oxolan-3-yl]-(2-propylpiperidin-1-yl)methanone
CID 83052187
[4-(propylamino)oxolan-3-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593120
(4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66256881
methyl 1-[4-(methylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylate
CID 66266602
[3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone
CID 66256744
cyclopropyl-[4-(propylamino)oxolan-3-yl]methanone
CID 116587886
(4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66256555
(4-ethyl-4-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66256554
3-methyl-4-[4-(propylamino)oxolane-3-carbonyl]piperazine-2,6-dione
CID 66255618
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone
CID 114797463

Frequently Asked Questions

What is the IUPAC name of 1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid (CID 66256153) is 1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid is CCCNC1COCC1C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is AAPRJYQHHFPAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-2-5-14-10-8-19-7-9(10)12(16)15-6-3-4-11(15)13(17)18/h9-11,14H,2-8H2,1H3,(H,17,18).
What are the key properties of 1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid?
1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66256153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).