tert-butyl (4S)-4-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylpiperidine-1-carboxylate

C20H35N3O5 — CID 100745647

IUPACtert-butyl (4S)-4-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylpiperidine-1-carboxylate
SMILESCOCCN1C[C@@H](C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1=O
InChIInChI=1S/C20H35N3O5/c1-19(2,3)28-18(26)23-8-7-15(20(4,5)13-23)21-17(25)14-11-16(24)22(12-14)9-10-27-6/h14-15H,7-13H2,1-6H3,(H,21,25)/t14-,15-/m0/s1
InChIKeyUHMLGWDDOBBEJQ-GJZGRUSLSA-N
MW397.52 g/mol
LogP1.63
Rot. Bonds5

About tert-butyl (4S)-4-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylpiperidine-1-carboxylate

tert-butyl (4S)-4-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylpiperidine-1-carboxylate (PubChem CID 100745647) has the molecular formula C20H35N3O5 and a molecular weight of 397.52 g/mol. Its IUPAC name is tert-butyl (4S)-4-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylpiperidine-1-carboxylate
PubChem CID100745647
Molecular FormulaC20H35N3O5
Molecular Weight397.52 g/mol
Exact Mass397.26
IUPAC Nametert-butyl (4S)-4-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylpiperidine-1-carboxylate
SMILESCOCCN1C[C@@H](C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1=O
InChIInChI=1S/C20H35N3O5/c1-19(2,3)28-18(26)23-8-7-15(20(4,5)13-23)21-17(25)14-11-16(24)22(12-14)9-10-27-6/h14-15H,7-13H2,1-6H3,(H,21,25)/t14-,15-/m0/s1
InChIKeyUHMLGWDDOBBEJQ-GJZGRUSLSA-N
XLogP1.63
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (4S)-4-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylpiperidine-1-carboxylate with MolForge

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Related Compounds

(3S)-N-tert-butyl-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94046054
4-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 125149285
N-(2-amino-2-methylpropyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 119625881
N-[2-(aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 119609306
tert-butyl 3,3-dimethyl-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 114235505
1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146797
1-(2-methoxyethyl)-N-(2-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 120602134
methyl 1-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168692906
N-[3-(aminomethyl)pentan-3-yl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119568769
tert-butyl (5R)-3-(2-methoxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate
CID 177216424
(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
CID 7061674
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylpiperidine-1-carboxylate (CID 100745647) is tert-butyl (4S)-4-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylpiperidine-1-carboxylate is COCCN1C[C@@H](C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1=O.
What is the InChIKey of tert-butyl (4S)-4-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylpiperidine-1-carboxylate?
The InChIKey is UHMLGWDDOBBEJQ-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H35N3O5/c1-19(2,3)28-18(26)23-8-7-15(20(4,5)13-23)21-17(25)14-11-16(24)22(12-14)9-10-27-6/h14-15H,7-13H2,1-6H3,(H,21,25)/t14-,15-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylpiperidine-1-carboxylate?
tert-butyl (4S)-4-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylpiperidine-1-carboxylate has a molecular weight of 397.52 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 100745647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).