2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide

C12H23N3O2 — CID 66431515

IUPAC2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCCC(C)NC(CC(=O)N1CCCC1)C(N)=O
InChIInChI=1S/C12H23N3O2/c1-3-9(2)14-10(12(13)17)8-11(16)15-6-4-5-7-15/h9-10,14H,3-8H2,1-2H3,(H2,13,17)
InChIKeyOVOBXMLGTAIIEI-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.24
Rot. Bonds6

About 2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide

2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 66431515) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide
PubChem CID66431515
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCCC(C)NC(CC(=O)N1CCCC1)C(N)=O
InChIInChI=1S/C12H23N3O2/c1-3-9(2)14-10(12(13)17)8-11(16)15-6-4-5-7-15/h9-10,14H,3-8H2,1-2H3,(H2,13,17)
InChIKeyOVOBXMLGTAIIEI-UHFFFAOYSA-N
XLogP0.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one
CID 170295509
3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanamide
CID 115676331
2-(butan-2-ylamino)-N',N'-dimethylbutanediamide
CID 66431267
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
(4S)-5-amino-4-(butan-2-ylamino)-5-oxopentanoic acid
CID 87360410
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
6-amino-2-(butan-2-ylamino)hexanamide
CID 129101574
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
(2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 42627584
3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854
2-(propan-2-ylamino)butanediamide
CID 66427979
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of 2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 66431515) is 2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for 2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for 2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide is CCC(C)NC(CC(=O)N1CCCC1)C(N)=O.
What is the InChIKey of 2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide?
The InChIKey is OVOBXMLGTAIIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-9(2)14-10(12(13)17)8-11(16)15-6-4-5-7-15/h9-10,14H,3-8H2,1-2H3,(H2,13,17).
What are the key properties of 2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide?
2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide has a molecular weight of 241.33 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 66431515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).