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

C13H23N3O3 — CID 62670176

IUPAC3-amino-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(CN)C(=O)N1CCCC1C(=O)N1CCOCC1
InChIInChI=1S/C13H23N3O3/c1-10(9-14)12(17)16-4-2-3-11(16)13(18)15-5-7-19-8-6-15/h10-11H,2-9,14H2,1H3
InChIKeyQEAOCXKMMQKRPX-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.57
Rot. Bonds3

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

3-amino-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 62670176) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-amino-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
PubChem CID62670176
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3-amino-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
SMILESCC(CN)C(=O)N1CCCC1C(=O)N1CCOCC1
InChIInChI=1S/C13H23N3O3/c1-10(9-14)12(17)16-4-2-3-11(16)13(18)15-5-7-19-8-6-15/h10-11H,2-9,14H2,1H3
InChIKeyQEAOCXKMMQKRPX-UHFFFAOYSA-N
XLogP-0.57
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-4-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one
CID 104903033
3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 110285986
2-amino-4-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 62474297
3-amino-2,2-dimethyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 115426376
[1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 115447990
(E)-4-methoxy-4-oxobut-2-enoic acid;2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 145134580
2-bromo-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 114328107
[1-(1-aminocyclopentanecarbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 60939117
3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one
CID 55211075
(2S,3R)-N,2-dihydroxy-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]heptanamide
CID 23520223
5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one
CID 60954153
methyl (3S)-3-methyl-4-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]-4-oxobutanoate
CID 97019401

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one (CID 62670176) is 3-amino-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one is CC(CN)C(=O)N1CCCC1C(=O)N1CCOCC1.
What is the InChIKey of 3-amino-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is QEAOCXKMMQKRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10(9-14)12(17)16-4-2-3-11(16)13(18)15-5-7-19-8-6-15/h10-11H,2-9,14H2,1H3.
What are the key properties of 3-amino-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one?
3-amino-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 269.34 g/mol, XLogP of -0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 62670176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).