(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate

C33H60N4O7 — CID 138724844

IUPAC(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate
SMILESCC1(C)CC(COC(=O)CN(CC(=O)OCC2CC(C)(C)NC2(C)C)CC(=O)OCC2CC(C)(C)N(O)C2(C)C)C(C)(C)N1
InChIInChI=1S/C33H60N4O7/c1-28(2)13-22(31(7,8)34-28)19-42-25(38)16-36(17-26(39)43-20-23-14-29(3,4)35-32(23,9)10)18-27(40)44-21-24-15-30(5,6)37(41)33(24,11)12/h22-24,34-35,41H,13-21H2,1-12H3
InChIKeyILSWEUKDAOZRJI-UHFFFAOYSA-N
MW624.86 g/mol
LogP3.52
Rot. Bonds12

About (2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate

(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate (PubChem CID 138724844) has the molecular formula C33H60N4O7 and a molecular weight of 624.86 g/mol. Its IUPAC name is (2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate.

Molecular Properties

Compound Name(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate
PubChem CID138724844
Molecular FormulaC33H60N4O7
Molecular Weight624.86 g/mol
Exact Mass624.45
IUPAC Name(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate
SMILESCC1(C)CC(COC(=O)CN(CC(=O)OCC2CC(C)(C)NC2(C)C)CC(=O)OCC2CC(C)(C)N(O)C2(C)C)C(C)(C)N1
InChIInChI=1S/C33H60N4O7/c1-28(2)13-22(31(7,8)34-28)19-42-25(38)16-36(17-26(39)43-20-23-14-29(3,4)35-32(23,9)10)18-27(40)44-21-24-15-30(5,6)37(41)33(24,11)12/h22-24,34-35,41H,13-21H2,1-12H3
InChIKeyILSWEUKDAOZRJI-UHFFFAOYSA-N
XLogP3.52
TPSA129.67 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.86
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze (2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate?
The IUPAC name of (2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate (CID 138724844) is (2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate.
What is the SMILES notation for (2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate?
The canonical SMILES for (2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate is CC1(C)CC(COC(=O)CN(CC(=O)OCC2CC(C)(C)NC2(C)C)CC(=O)OCC2CC(C)(C)N(O)C2(C)C)C(C)(C)N1.
What is the InChIKey of (2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate?
The InChIKey is ILSWEUKDAOZRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H60N4O7/c1-28(2)13-22(31(7,8)34-28)19-42-25(38)16-36(17-26(39)43-20-23-14-29(3,4)35-32(23,9)10)18-27(40)44-21-24-15-30(5,6)37(41)33(24,11)12/h22-24,34-35,41H,13-21H2,1-12H3.
What are the key properties of (2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate?
(2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate has a molecular weight of 624.86 g/mol, XLogP of 3.52, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,5,5-tetramethylpyrrolidin-3-yl)methyl 2-[[2-[(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]-2-oxoethyl]-[2-oxo-2-[(2,2,5,5-tetramethylpyrrolidin-3-yl)methoxy]ethyl]amino]acetate is sourced from PubChem (CID 138724844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).