4-amino-2-[2-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-2-oxoethyl]pent-4-enamide

C15H25N3O3 — CID 158926490

IUPAC4-amino-2-[2-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-2-oxoethyl]pent-4-enamide
SMILESC=C(N)CC(CC(=O)C1CCCN1C(=O)C(C)C)C(N)=O
InChIInChI=1S/C15H25N3O3/c1-9(2)15(21)18-6-4-5-12(18)13(19)8-11(14(17)20)7-10(3)16/h9,11-12H,3-8,16H2,1-2H3,(H2,17,20)
InChIKeyNTGSLYFXEMNSHU-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.56
Rot. Bonds7

About 4-amino-2-[2-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-2-oxoethyl]pent-4-enamide

4-amino-2-[2-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-2-oxoethyl]pent-4-enamide (PubChem CID 158926490) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-amino-2-[2-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-2-oxoethyl]pent-4-enamide.

Molecular Properties

Compound Name4-amino-2-[2-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-2-oxoethyl]pent-4-enamide
PubChem CID158926490
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name4-amino-2-[2-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-2-oxoethyl]pent-4-enamide
SMILESC=C(N)CC(CC(=O)C1CCCN1C(=O)C(C)C)C(N)=O
InChIInChI=1S/C15H25N3O3/c1-9(2)15(21)18-6-4-5-12(18)13(19)8-11(14(17)20)7-10(3)16/h9,11-12H,3-8,16H2,1-2H3,(H2,17,20)
InChIKeyNTGSLYFXEMNSHU-UHFFFAOYSA-N
XLogP0.56
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[(2S)-2-propanoylpyrrolidin-1-yl]propan-1-one
CID 121371179
1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177223848
1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 61148979
1-(2-acetylpiperidin-1-yl)-2-methylpropan-1-one;ethane;prop-1-ene
CID 142110127
1-[2-(2-chloroacetyl)pyrrolidin-1-yl]-2,3-dimethylbutan-1-one
CID 142234365
1-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 156794409
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 12919066
2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 61174938

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-2-oxoethyl]pent-4-enamide?
The IUPAC name of 4-amino-2-[2-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-2-oxoethyl]pent-4-enamide (CID 158926490) is 4-amino-2-[2-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-2-oxoethyl]pent-4-enamide.
What is the SMILES notation for 4-amino-2-[2-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-2-oxoethyl]pent-4-enamide?
The canonical SMILES for 4-amino-2-[2-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-2-oxoethyl]pent-4-enamide is C=C(N)CC(CC(=O)C1CCCN1C(=O)C(C)C)C(N)=O.
What is the InChIKey of 4-amino-2-[2-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-2-oxoethyl]pent-4-enamide?
The InChIKey is NTGSLYFXEMNSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-9(2)15(21)18-6-4-5-12(18)13(19)8-11(14(17)20)7-10(3)16/h9,11-12H,3-8,16H2,1-2H3,(H2,17,20).
What are the key properties of 4-amino-2-[2-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-2-oxoethyl]pent-4-enamide?
4-amino-2-[2-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-2-oxoethyl]pent-4-enamide has a molecular weight of 295.38 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-2-oxoethyl]pent-4-enamide is sourced from PubChem (CID 158926490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).