2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrrolidine-2-carboxamide

C13H23N3O3 — CID 115747499

IUPAC2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCCC(=O)N2CCOCC2)CCCN1
InChIInChI=1S/C13H23N3O3/c1-13(4-2-5-15-13)12(18)14-6-3-11(17)16-7-9-19-10-8-16/h15H,2-10H2,1H3,(H,14,18)
InChIKeyBKXSDTQLJMSSCD-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.51
Rot. Bonds4

About 2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrrolidine-2-carboxamide

2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrrolidine-2-carboxamide (PubChem CID 115747499) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrrolidine-2-carboxamide
PubChem CID115747499
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCCC(=O)N2CCOCC2)CCCN1
InChIInChI=1S/C13H23N3O3/c1-13(4-2-5-15-13)12(18)14-6-3-11(17)16-7-9-19-10-8-16/h15H,2-10H2,1H3,(H,14,18)
InChIKeyBKXSDTQLJMSSCD-UHFFFAOYSA-N
XLogP-0.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrrolidine-2-carboxamide (CID 115747499) is 2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrrolidine-2-carboxamide is CC1(C(=O)NCCC(=O)N2CCOCC2)CCCN1.
What is the InChIKey of 2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrrolidine-2-carboxamide?
The InChIKey is BKXSDTQLJMSSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-13(4-2-5-15-13)12(18)14-6-3-11(17)16-7-9-19-10-8-16/h15H,2-10H2,1H3,(H,14,18).
What are the key properties of 2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrrolidine-2-carboxamide?
2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrrolidine-2-carboxamide has a molecular weight of 269.34 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 115747499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).