4-(2-amino-4,4-dimethylpentanoyl)-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one

C13H22N2O3 — CID 69374831

IUPAC4-(2-amino-4,4-dimethylpentanoyl)-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one
SMILESCC(C)(C)CC(N)C(=O)N1CCC2OCC(=O)C21
InChIInChI=1S/C13H22N2O3/c1-13(2,3)6-8(14)12(17)15-5-4-10-11(15)9(16)7-18-10/h8,10-11H,4-7,14H2,1-3H3
InChIKeyPFPANRZRFFBCQB-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.32
Rot. Bonds2

About 4-(2-amino-4,4-dimethylpentanoyl)-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one

4-(2-amino-4,4-dimethylpentanoyl)-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one (PubChem CID 69374831) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(2-amino-4,4-dimethylpentanoyl)-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one.

Molecular Properties

Compound Name4-(2-amino-4,4-dimethylpentanoyl)-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one
PubChem CID69374831
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-(2-amino-4,4-dimethylpentanoyl)-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one
SMILESCC(C)(C)CC(N)C(=O)N1CCC2OCC(=O)C21
InChIInChI=1S/C13H22N2O3/c1-13(2,3)6-8(14)12(17)15-5-4-10-11(15)9(16)7-18-10/h8,10-11H,4-7,14H2,1-3H3
InChIKeyPFPANRZRFFBCQB-UHFFFAOYSA-N
XLogP0.32
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-amino-4,4-dimethylpentanoyl)-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one with MolForge

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Related Compounds

[(3S)-5,5-dimethylhexan-3-yl] 3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carboxylate
CID 68955151
4-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one
CID 69310345
4-(2-amino-3-benzylsulfanylpropanoyl)-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-3-one
CID 69310349
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]-4-(1-cyclobutylpiperidin-4-yl)benzamide
CID 66986596
4-[2-[(4-tert-butylphenyl)methylsulfanyl]-4-methylpentanoyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one
CID 69051130
N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]-4-(1-propylpiperidin-4-yl)benzamide;sulfane
CID 158848205
N-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]furan-3-carboxamide
CID 59791648
N-[3-(4-aminophenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]-4-tert-butylbenzamide
CID 69374333
N-[(2S)-1-[(3aS,7aR)-3-oxo-5,6,7,7a-tetrahydro-3aH-furo[3,2-b]pyridin-4-yl]-4,4-dimethyl-1-oxopentan-2-yl]thiophene-3-carboxamide;sulfane
CID 162222449
4-tert-butyl-N-[3-(4-methoxyphenyl)-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)propan-2-yl]benzamide
CID 69374920
[4-methyl-1-oxo-1-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)pentan-2-yl] morpholine-4-carboxylate
CID 69049862
N-[(2S)-1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4-tert-butylbenzamide;methane;sulfane
CID 158790317

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4,4-dimethylpentanoyl)-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one?
The IUPAC name of 4-(2-amino-4,4-dimethylpentanoyl)-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one (CID 69374831) is 4-(2-amino-4,4-dimethylpentanoyl)-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one.
What is the SMILES notation for 4-(2-amino-4,4-dimethylpentanoyl)-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one?
The canonical SMILES for 4-(2-amino-4,4-dimethylpentanoyl)-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one is CC(C)(C)CC(N)C(=O)N1CCC2OCC(=O)C21.
What is the InChIKey of 4-(2-amino-4,4-dimethylpentanoyl)-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one?
The InChIKey is PFPANRZRFFBCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(2,3)6-8(14)12(17)15-5-4-10-11(15)9(16)7-18-10/h8,10-11H,4-7,14H2,1-3H3.
What are the key properties of 4-(2-amino-4,4-dimethylpentanoyl)-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one?
4-(2-amino-4,4-dimethylpentanoyl)-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one has a molecular weight of 254.33 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4,4-dimethylpentanoyl)-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-3-one is sourced from PubChem (CID 69374831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).