[2-(1-adamantylamino)-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate

C17H24N2O4 — CID 7934871

IUPAC[2-(1-adamantylamino)-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate
SMILESO=C1CC[C@H](C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)N1
InChIInChI=1S/C17H24N2O4/c20-14-2-1-13(18-14)16(22)23-9-15(21)19-17-6-10-3-11(7-17)5-12(4-10)8-17/h10-13H,1-9H2,(H,18,20)(H,19,21)/t10?,11?,12?,13-,17?/m1/s1
InChIKeyGBFJNJYICDMZTR-CQCMJFKXSA-N
MW320.39 g/mol
LogP0.89
Rot. Bonds4

About [2-(1-adamantylamino)-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate

[2-(1-adamantylamino)-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate (PubChem CID 7934871) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate
PubChem CID7934871
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate
SMILESO=C1CC[C@H](C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)N1
InChIInChI=1S/C17H24N2O4/c20-14-2-1-13(18-14)16(22)23-9-15(21)19-17-6-10-3-11(7-17)5-12(4-10)8-17/h10-13H,1-9H2,(H,18,20)(H,19,21)/t10?,11?,12?,13-,17?/m1/s1
InChIKeyGBFJNJYICDMZTR-CQCMJFKXSA-N
XLogP0.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate (CID 7934871) is [2-(1-adamantylamino)-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate is O=C1CC[C@H](C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)N1.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is GBFJNJYICDMZTR-CQCMJFKXSA-N. The full InChI is InChI=1S/C17H24N2O4/c20-14-2-1-13(18-14)16(22)23-9-15(21)19-17-6-10-3-11(7-17)5-12(4-10)8-17/h10-13H,1-9H2,(H,18,20)(H,19,21)/t10?,11?,12?,13-,17?/m1/s1.
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate?
[2-(1-adamantylamino)-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylamino)-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 7934871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).