2,2-dimethylpropyl N-[3-amino-1-[(2,3-dioxopiperidin-4-yl)amino]-1-oxobutan-2-yl]carbamate

C15H26N4O5 — CID 138730226

IUPAC2,2-dimethylpropyl N-[3-amino-1-[(2,3-dioxopiperidin-4-yl)amino]-1-oxobutan-2-yl]carbamate
SMILESCC(N)C(NC(=O)OCC(C)(C)C)C(=O)NC1CCNC(=O)C1=O
InChIInChI=1S/C15H26N4O5/c1-8(16)10(19-14(23)24-7-15(2,3)4)12(21)18-9-5-6-17-13(22)11(9)20/h8-10H,5-7,16H2,1-4H3,(H,17,22)(H,18,21)(H,19,23)
InChIKeyJIWLVIOYBNTKGB-UHFFFAOYSA-N
MW342.40 g/mol
LogP-0.95
Rot. Bonds5

About 2,2-dimethylpropyl N-[3-amino-1-[(2,3-dioxopiperidin-4-yl)amino]-1-oxobutan-2-yl]carbamate

2,2-dimethylpropyl N-[3-amino-1-[(2,3-dioxopiperidin-4-yl)amino]-1-oxobutan-2-yl]carbamate (PubChem CID 138730226) has the molecular formula C15H26N4O5 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2,2-dimethylpropyl N-[3-amino-1-[(2,3-dioxopiperidin-4-yl)amino]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Name2,2-dimethylpropyl N-[3-amino-1-[(2,3-dioxopiperidin-4-yl)amino]-1-oxobutan-2-yl]carbamate
PubChem CID138730226
Molecular FormulaC15H26N4O5
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Name2,2-dimethylpropyl N-[3-amino-1-[(2,3-dioxopiperidin-4-yl)amino]-1-oxobutan-2-yl]carbamate
SMILESCC(N)C(NC(=O)OCC(C)(C)C)C(=O)NC1CCNC(=O)C1=O
InChIInChI=1S/C15H26N4O5/c1-8(16)10(19-14(23)24-7-15(2,3)4)12(21)18-9-5-6-17-13(22)11(9)20/h8-10H,5-7,16H2,1-4H3,(H,17,22)(H,18,21)(H,19,23)
InChIKeyJIWLVIOYBNTKGB-UHFFFAOYSA-N
XLogP-0.95
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2,2-dimethylpropyl N-[3-amino-1-[(2,3-dioxopiperidin-4-yl)amino]-1-oxobutan-2-yl]carbamate with MolForge

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Related Compounds

2,2-dimethylpropyl N-[1-[(7,8-dioxo-1-oxa-6-azacyclododec-9-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 138730799
2,2-dimethylpropyl N-[1-[(5,6-dioxo-1,4-oxazocan-7-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 138730489
2,2-dimethylpropyl N-[1-[(4,5-dioxo-6,12,15-triazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-3-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 138731817
2,2-dimethylpropyl N-[1-[(4,5-dioxo-6,13,14-triazabicyclo[10.3.0]pentadeca-1(12),14-dien-3-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 138730424
benzyl N-[(2S)-1-[(2,3-dioxoazepan-4-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 130420335
2,2-dimethylpropyl N-[1-(6,7-dioxo-5,14,15-triazabicyclo[10.3.0]pentadeca-1(12),13-dien-8-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 159469235
2,2-dimethylpropyl N-[1-(5,6-dioxo-4,14,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-7-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 161387553
2,2-dimethylpropyl N-[1-(5,6-dioxo-4,12,15-triazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-7-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 159638464
N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[(2-pyridin-4-ylacetyl)amino]butanamide
CID 138730757
2,2-dimethylpropyl 3-[[1-(2,3-dioxopiperidin-4-yl)-5-methyl-2-oxohexan-3-yl]carbamoyl]-5-methylhexanoate
CID 158111412
2,2-dimethylpropyl N-[1-(5,6-dioxo-11-thia-4,12-diazabicyclo[8.2.1]trideca-1(12),10(13)-dien-7-yl)-4-methyl-2-oxopentan-3-yl]carbamate
CID 153017872
N-(2,3-dioxopiperidin-4-yl)-3-methyl-2-[[2-oxo-3-(1H-pyrrol-3-yl)propanoyl]amino]butanamide
CID 138730316

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl N-[3-amino-1-[(2,3-dioxopiperidin-4-yl)amino]-1-oxobutan-2-yl]carbamate?
The IUPAC name of 2,2-dimethylpropyl N-[3-amino-1-[(2,3-dioxopiperidin-4-yl)amino]-1-oxobutan-2-yl]carbamate (CID 138730226) is 2,2-dimethylpropyl N-[3-amino-1-[(2,3-dioxopiperidin-4-yl)amino]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for 2,2-dimethylpropyl N-[3-amino-1-[(2,3-dioxopiperidin-4-yl)amino]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for 2,2-dimethylpropyl N-[3-amino-1-[(2,3-dioxopiperidin-4-yl)amino]-1-oxobutan-2-yl]carbamate is CC(N)C(NC(=O)OCC(C)(C)C)C(=O)NC1CCNC(=O)C1=O.
What is the InChIKey of 2,2-dimethylpropyl N-[3-amino-1-[(2,3-dioxopiperidin-4-yl)amino]-1-oxobutan-2-yl]carbamate?
The InChIKey is JIWLVIOYBNTKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O5/c1-8(16)10(19-14(23)24-7-15(2,3)4)12(21)18-9-5-6-17-13(22)11(9)20/h8-10H,5-7,16H2,1-4H3,(H,17,22)(H,18,21)(H,19,23).
What are the key properties of 2,2-dimethylpropyl N-[3-amino-1-[(2,3-dioxopiperidin-4-yl)amino]-1-oxobutan-2-yl]carbamate?
2,2-dimethylpropyl N-[3-amino-1-[(2,3-dioxopiperidin-4-yl)amino]-1-oxobutan-2-yl]carbamate has a molecular weight of 342.40 g/mol, XLogP of -0.95, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl N-[3-amino-1-[(2,3-dioxopiperidin-4-yl)amino]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 138730226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).