2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide

C9H16N2O3 — CID 69026348

IUPAC2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCOC(CC(=O)N1CCCC1)C(N)=O
InChIInChI=1S/C9H16N2O3/c1-14-7(9(10)13)6-8(12)11-4-2-3-5-11/h7H,2-6H2,1H3,(H2,10,13)
InChIKeyBVJPTUPKTNPRTM-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.50
Rot. Bonds4

About 2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide

2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 69026348) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound Name2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide
PubChem CID69026348
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCOC(CC(=O)N1CCCC1)C(N)=O
InChIInChI=1S/C9H16N2O3/c1-14-7(9(10)13)6-8(12)11-4-2-3-5-11/h7H,2-6H2,1H3,(H2,10,13)
InChIKeyBVJPTUPKTNPRTM-UHFFFAOYSA-N
XLogP-0.50
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-methoxy-1-piperidin-1-ylbutan-1-one
CID 165388208
(2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 42627584
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one
CID 120594917
2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 66431515
4-hydroxy-2-methoxy-1-pyrrolidin-1-ylbutan-1-one
CID 102568032
3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854
4-amino-3-methoxy-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120595485
4-hydroxy-2-methoxy-1-piperidin-1-ylbutan-1-one
CID 102568031
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
(2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid
CID 67330383

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of 2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 69026348) is 2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for 2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for 2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide is COC(CC(=O)N1CCCC1)C(N)=O.
What is the InChIKey of 2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
The InChIKey is BVJPTUPKTNPRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-14-7(9(10)13)6-8(12)11-4-2-3-5-11/h7H,2-6H2,1H3,(H2,10,13).
What are the key properties of 2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide has a molecular weight of 200.24 g/mol, XLogP of -0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 69026348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).