2-amino-4-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one

C14H25N3O4 — CID 62474297

IUPAC2-amino-4-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
SMILESCOCCC(N)C(=O)N1CCCC1C(=O)N1CCOCC1
InChIInChI=1S/C14H25N3O4/c1-20-8-4-11(15)13(18)17-5-2-3-12(17)14(19)16-6-9-21-10-7-16/h11-12H,2-10,15H2,1H3
InChIKeyZVHVGCYULPFGIN-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.80
Rot. Bonds5

About 2-amino-4-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one

2-amino-4-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 62474297) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-amino-4-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-4-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
PubChem CID62474297
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-amino-4-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
SMILESCOCCC(N)C(=O)N1CCCC1C(=O)N1CCOCC1
InChIInChI=1S/C14H25N3O4/c1-20-8-4-11(15)13(18)17-5-2-3-12(17)14(19)16-6-9-21-10-7-16/h11-12H,2-10,15H2,1H3
InChIKeyZVHVGCYULPFGIN-UHFFFAOYSA-N
XLogP-0.80
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-4-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one
CID 104903033
1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide
CID 62473351
3-amino-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 62670176
2-amino-3-methoxy-1-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 120990207
2-amino-4-methoxy-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 62472696
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methoxybutan-1-one
CID 107217915
2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one
CID 62472697
(E)-4-methoxy-4-oxobut-2-enoic acid;2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 145134580
2-amino-5-methoxy-1-morpholin-4-ylpentan-1-one
CID 81082290
1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 81089238
3-methyl-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 110285986
1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide
CID 81081543

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 2-amino-4-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one (CID 62474297) is 2-amino-4-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 2-amino-4-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 2-amino-4-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one is COCCC(N)C(=O)N1CCCC1C(=O)N1CCOCC1.
What is the InChIKey of 2-amino-4-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is ZVHVGCYULPFGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-20-8-4-11(15)13(18)17-5-2-3-12(17)14(19)16-6-9-21-10-7-16/h11-12H,2-10,15H2,1H3.
What are the key properties of 2-amino-4-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one?
2-amino-4-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 299.37 g/mol, XLogP of -0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 62474297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).