2-(3,3-dimethylmorpholine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

C15H24N2O4 — CID 102889976

IUPAC2-(3,3-dimethylmorpholine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCC1(C)COCCN1C(=O)N1CC2CCCC2C1C(=O)O
InChIInChI=1S/C15H24N2O4/c1-15(2)9-21-7-6-17(15)14(20)16-8-10-4-3-5-11(10)12(16)13(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyKDYHDCATIBAHTK-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.40
Rot. Bonds1

About 2-(3,3-dimethylmorpholine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

2-(3,3-dimethylmorpholine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (PubChem CID 102889976) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
PubChem CID102889976
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-(3,3-dimethylmorpholine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCC1(C)COCCN1C(=O)N1CC2CCCC2C1C(=O)O
InChIInChI=1S/C15H24N2O4/c1-15(2)9-21-7-6-17(15)14(20)16-8-10-4-3-5-11(10)12(16)13(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyKDYHDCATIBAHTK-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,3-dimethylmorpholine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid with MolForge

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Related Compounds

(2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 55149679
(3S,3aS,6aR)-2-acetyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 141323765
2-(azocane-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102889873
2-[1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61428037
1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55230340
2-(4-methylazepane-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890210
2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102961922
(3R,3aS,6aS)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 97106860
(3R,3aS,6aR)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 97106859
2-(3,5-dioxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890415
(3,3-dimethylmorpholin-4-yl)-piperidin-1-ylmethanone
CID 115592934
(3,3-dimethylmorpholin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 116654559

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylmorpholine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The IUPAC name of 2-(3,3-dimethylmorpholine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (CID 102889976) is 2-(3,3-dimethylmorpholine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-(3,3-dimethylmorpholine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The canonical SMILES for 2-(3,3-dimethylmorpholine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is CC1(C)COCCN1C(=O)N1CC2CCCC2C1C(=O)O.
What is the InChIKey of 2-(3,3-dimethylmorpholine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The InChIKey is KDYHDCATIBAHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2)9-21-7-6-17(15)14(20)16-8-10-4-3-5-11(10)12(16)13(18)19/h10-12H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 2-(3,3-dimethylmorpholine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
2-(3,3-dimethylmorpholine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylmorpholine-4-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 102889976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).