[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate

C20H28N2O5 — CID 8528272

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate
SMILESO=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)OCC(=O)N1CCCC1=O
InChIInChI=1S/C20H28N2O5/c23-16-2-1-5-22(16)17(24)12-27-18(25)3-4-21-19(26)20-9-13-6-14(10-20)8-15(7-13)11-20/h13-15H,1-12H2,(H,21,26)
InChIKeyAMISTMNZUJBXOY-UHFFFAOYSA-N
MW376.45 g/mol
LogP1.40
Rot. Bonds6

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate (PubChem CID 8528272) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate
PubChem CID8528272
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate
SMILESO=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)OCC(=O)N1CCCC1=O
InChIInChI=1S/C20H28N2O5/c23-16-2-1-5-22(16)17(24)12-27-18(25)3-4-21-19(26)20-9-13-6-14(10-20)8-15(7-13)11-20/h13-15H,1-12H2,(H,21,26)
InChIKeyAMISTMNZUJBXOY-UHFFFAOYSA-N
XLogP1.40
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-morpholin-4-yl-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate
CID 8528600
(2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate
CID 8528535
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8509142
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate
CID 74030455
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-[(4-bromobenzoyl)amino]propanoate
CID 8574538
2-tert-butylsulfanylethyl 3-(adamantane-1-carbonylamino)propanoate
CID 86944040
1-(adamantane-1-carbonyl)piperidin-2-one
CID 153488108
(4-bromophenyl)methyl 3-(adamantane-1-carbonylamino)propanoate
CID 8528544
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 4553339
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8529028
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate
CID 8528825
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 24653006

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate (CID 8528272) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate is O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)OCC(=O)N1CCCC1=O.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate?
The InChIKey is AMISTMNZUJBXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c23-16-2-1-5-22(16)17(24)12-27-18(25)3-4-21-19(26)20-9-13-6-14(10-20)8-15(7-13)11-20/h13-15H,1-12H2,(H,21,26).
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate has a molecular weight of 376.45 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(adamantane-1-carbonylamino)propanoate is sourced from PubChem (CID 8528272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).