3-amino-2,2-dimethyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one

C14H25N3O3 — CID 115426376

IUPAC3-amino-2,2-dimethyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C)(CN)C(=O)N1CCCC1C(=O)N1CCOCC1
InChIInChI=1S/C14H25N3O3/c1-14(2,10-15)13(19)17-5-3-4-11(17)12(18)16-6-8-20-9-7-16/h11H,3-10,15H2,1-2H3
InChIKeyNUTZJMODLWHLOQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.18
Rot. Bonds3

About 3-amino-2,2-dimethyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one

3-amino-2,2-dimethyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 115426376) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
PubChem CID115426376
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-amino-2,2-dimethyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(C)(CN)C(=O)N1CCCC1C(=O)N1CCOCC1
InChIInChI=1S/C14H25N3O3/c1-14(2,10-15)13(19)17-5-3-4-11(17)12(18)16-6-8-20-9-7-16/h11H,3-10,15H2,1-2H3
InChIKeyNUTZJMODLWHLOQ-UHFFFAOYSA-N
XLogP-0.18
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-2,2-dimethyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one (CID 115426376) is 3-amino-2,2-dimethyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-2,2-dimethyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-2,2-dimethyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one is CC(C)(CN)C(=O)N1CCCC1C(=O)N1CCOCC1.
What is the InChIKey of 3-amino-2,2-dimethyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is NUTZJMODLWHLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(2,10-15)13(19)17-5-3-4-11(17)12(18)16-6-8-20-9-7-16/h11H,3-10,15H2,1-2H3.
What are the key properties of 3-amino-2,2-dimethyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
3-amino-2,2-dimethyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 283.37 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 115426376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).