1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid

C14H23N3O4 — CID 63550050

IUPAC1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N2CCC(N3CCOCC3)C2)C1
InChIInChI=1S/C14H23N3O4/c18-13(19)11-1-3-16(9-11)14(20)17-4-2-12(10-17)15-5-7-21-8-6-15/h11-12H,1-10H2,(H,18,19)
InChIKeyFXEOUCFNLLUYPB-UHFFFAOYSA-N
MW297.36 g/mol
LogP-0.08
Rot. Bonds2

About 1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid

1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 63550050) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID63550050
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N2CCC(N3CCOCC3)C2)C1
InChIInChI=1S/C14H23N3O4/c18-13(19)11-1-3-16(9-11)14(20)17-4-2-12(10-17)15-5-7-21-8-6-15/h11-12H,1-10H2,(H,18,19)
InChIKeyFXEOUCFNLLUYPB-UHFFFAOYSA-N
XLogP-0.08
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120190
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonyl)piperidine-3-carboxylic acid
CID 63155393
(3-morpholin-4-ylpyrrolidin-1-yl)-[4-(1-sulfanylethyl)piperazin-1-yl]methanone
CID 135200089
4-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 23062598
2,2,2-trifluoro-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 64593046
2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 64592238
1-(3-carbamoylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 114082318
4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]-4-oxobut-2-enoic acid
CID 76999792
(2S)-2-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 78944972
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone
CID 80552459
4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
CID 79192941
pyrrolidine-1,3-dicarboxylic acid
CID 22258620

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid (CID 63550050) is 1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)N2CCC(N3CCOCC3)C2)C1.
What is the InChIKey of 1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is FXEOUCFNLLUYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c18-13(19)11-1-3-16(9-11)14(20)17-4-2-12(10-17)15-5-7-21-8-6-15/h11-12H,1-10H2,(H,18,19).
What are the key properties of 1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid?
1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63550050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).