methyl 5-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate

C15H26N2O4 — CID 45196047

IUPACmethyl 5-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)NC1CC(=O)N(CC(C)(C)C)C1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)10-17-9-11(8-13(17)19)16-12(18)6-5-7-14(20)21-4/h11H,5-10H2,1-4H3,(H,16,18)
InChIKeyPQQDIGLMUJVEIB-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.09
Rot. Bonds6

About methyl 5-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate

methyl 5-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate (PubChem CID 45196047) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl 5-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate
PubChem CID45196047
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Namemethyl 5-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)NC1CC(=O)N(CC(C)(C)C)C1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)10-17-9-11(8-13(17)19)16-12(18)6-5-7-14(20)21-4/h11H,5-10H2,1-4H3,(H,16,18)
InChIKeyPQQDIGLMUJVEIB-UHFFFAOYSA-N
XLogP1.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
CID 42455012
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide
CID 45224983
methyl 5-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate
CID 42378459
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-(1H-indol-3-yl)butanamide
CID 95712428
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]propanamide
CID 45211347
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-phenylsulfanylacetamide
CID 42525734
methyl 4-oxo-4-[[(3S)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]butanoate
CID 42304554
1-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxyphenyl)urea
CID 45241705
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pentanamide
CID 110736860
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 25461445
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 25461444
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 25485689

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate?
The IUPAC name of methyl 5-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate (CID 45196047) is methyl 5-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate?
The canonical SMILES for methyl 5-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate is COC(=O)CCCC(=O)NC1CC(=O)N(CC(C)(C)C)C1.
What is the InChIKey of methyl 5-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate?
The InChIKey is PQQDIGLMUJVEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,3)10-17-9-11(8-13(17)19)16-12(18)6-5-7-14(20)21-4/h11H,5-10H2,1-4H3,(H,16,18).
What are the key properties of methyl 5-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate?
methyl 5-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate has a molecular weight of 298.38 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]amino]-5-oxopentanoate is sourced from PubChem (CID 45196047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).