tert-butyl 4-oxo-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]butanoate

C15H26N2O4 — CID 106707693

IUPACtert-butyl 4-oxo-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]butanoate
SMILESCC(NC(=O)CCC(=O)OC(C)(C)C)C(=O)N1CCCC1
InChIInChI=1S/C15H26N2O4/c1-11(14(20)17-9-5-6-10-17)16-12(18)7-8-13(19)21-15(2,3)4/h11H,5-10H2,1-4H3,(H,16,18)
InChIKeyNUAQERBSJOWMRL-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.24
Rot. Bonds5

About tert-butyl 4-oxo-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]butanoate

tert-butyl 4-oxo-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]butanoate (PubChem CID 106707693) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is tert-butyl 4-oxo-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]butanoate.

Molecular Properties

Compound Nametert-butyl 4-oxo-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]butanoate
PubChem CID106707693
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nametert-butyl 4-oxo-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]butanoate
SMILESCC(NC(=O)CCC(=O)OC(C)(C)C)C(=O)N1CCCC1
InChIInChI=1S/C15H26N2O4/c1-11(14(20)17-9-5-6-10-17)16-12(18)7-8-13(19)21-15(2,3)4/h11H,5-10H2,1-4H3,(H,16,18)
InChIKeyNUAQERBSJOWMRL-UHFFFAOYSA-N
XLogP1.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-oxo-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]butanoate with MolForge

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Related Compounds

tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate
CID 24689322
tert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate
CID 106707688
4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 63307556
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859
2-(methylamino)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 60945403
tert-butyl N-[1-(azocan-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 142133698
tritert-butyl 10-[2-(ethylcarbamoylamino)propanoyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 44613834
2-bromo-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)propanamide
CID 114329095
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide
CID 113408453
2-amino-2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide
CID 61267195
tert-butyl 3-(piperidine-1-carbonylperoxy)propanoate
CID 170760426
methyl (2S)-2-[[4-(azepan-1-yl)-4-oxobutanoyl]amino]propanoate
CID 175966410

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-oxo-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]butanoate?
The IUPAC name of tert-butyl 4-oxo-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]butanoate (CID 106707693) is tert-butyl 4-oxo-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]butanoate.
What is the SMILES notation for tert-butyl 4-oxo-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]butanoate?
The canonical SMILES for tert-butyl 4-oxo-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]butanoate is CC(NC(=O)CCC(=O)OC(C)(C)C)C(=O)N1CCCC1.
What is the InChIKey of tert-butyl 4-oxo-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]butanoate?
The InChIKey is NUAQERBSJOWMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-11(14(20)17-9-5-6-10-17)16-12(18)7-8-13(19)21-15(2,3)4/h11H,5-10H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl 4-oxo-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]butanoate?
tert-butyl 4-oxo-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]butanoate has a molecular weight of 298.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-oxo-4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]butanoate is sourced from PubChem (CID 106707693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).