3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide

C12H23N3O2 — CID 114176608

IUPAC3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide
SMILESCC(C)NC1CCN(C(C(N)=O)C(C)C)C1=O
InChIInChI=1S/C12H23N3O2/c1-7(2)10(11(13)16)15-6-5-9(12(15)17)14-8(3)4/h7-10,14H,5-6H2,1-4H3,(H2,13,16)
InChIKeyMMJDVEOBJYBSSS-UHFFFAOYSA-N
MW241.34 g/mol
LogP0.10
Rot. Bonds5

About 3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide

3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide (PubChem CID 114176608) has the molecular formula C12H23N3O2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide
PubChem CID114176608
Molecular FormulaC12H23N3O2
Molecular Weight241.34 g/mol
Exact Mass241.18
IUPAC Name3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide
SMILESCC(C)NC1CCN(C(C(N)=O)C(C)C)C1=O
InChIInChI=1S/C12H23N3O2/c1-7(2)10(11(13)16)15-6-5-9(12(15)17)14-8(3)4/h7-10,14H,5-6H2,1-4H3,(H2,13,16)
InChIKeyMMJDVEOBJYBSSS-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]butanamide
CID 106098557
1-(1-hydroxy-4-methylpentan-3-yl)-3-(propan-2-ylamino)piperidin-2-one
CID 114178303
1-octan-4-yl-3-(propan-2-ylamino)pyrrolidin-2-one
CID 106021182
2-(2-iminopiperidin-1-yl)-3-methylbutanamide
CID 106345837
2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea
CID 83114839
1-but-3-yn-2-yl-3-(propan-2-ylamino)piperidin-2-one
CID 114420364
2-[3-[2-[but-2-ynoyl(methyl)amino]ethyl]-2-oxopyrrolidin-1-yl]-3-methylbutanamide
CID 166115317
(2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide
CID 119785943
1-(1-methoxy-3-methylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one
CID 65053200
3-(propan-2-ylamino)-1-(2,2,3,3-tetramethylcyclopropyl)pyrrolidin-2-one
CID 79350265
[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 69153138
2-amino-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)pentanamide
CID 119324962

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide?
The IUPAC name of 3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide (CID 114176608) is 3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide.
What is the SMILES notation for 3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide?
The canonical SMILES for 3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide is CC(C)NC1CCN(C(C(N)=O)C(C)C)C1=O.
What is the InChIKey of 3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide?
The InChIKey is MMJDVEOBJYBSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-7(2)10(11(13)16)15-6-5-9(12(15)17)14-8(3)4/h7-10,14H,5-6H2,1-4H3,(H2,13,16).
What are the key properties of 3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide?
3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide has a molecular weight of 241.34 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide is sourced from PubChem (CID 114176608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).