3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one

C14H24N2O3 — CID 110285986

IUPAC3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C14H24N2O3/c1-11(2)10-13(17)16-5-3-4-12(16)14(18)15-6-8-19-9-7-15/h11-12H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyCUBUWSISXILKGE-LBPRGKRZSA-N
MW268.36 g/mol
LogP0.88
Rot. Bonds3

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

3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 110285986) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
PubChem CID110285986
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCC[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C14H24N2O3/c1-11(2)10-13(17)16-5-3-4-12(16)14(18)15-6-8-19-9-7-15/h11-12H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyCUBUWSISXILKGE-LBPRGKRZSA-N
XLogP0.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-amino-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 62670176
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993
3-cyclopropyl-3-(4-methylphenyl)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110305895
5-chloro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one
CID 60954153
2-bromo-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 114328107
3-amino-2,2-dimethyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 115426376
[1-(1-aminocyclopentanecarbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 60939117
1-(4-methylphenyl)-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110305871
formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one
CID 143869951
N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170386383
2-amino-4-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 62474297

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one (CID 110285986) is 3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one is CC(C)CC(=O)N1CCC[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of 3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is CUBUWSISXILKGE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11(2)10-13(17)16-5-3-4-12(16)14(18)15-6-8-19-9-7-15/h11-12H,3-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one?
3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 268.36 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 110285986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).