(2R)-N-(1-adamantylmethyl)-5-oxopyrrolidine-2-carboxamide

C16H24N2O2 — CID 42554316

IUPAC(2R)-N-(1-adamantylmethyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NCC23CC4CC(CC(C4)C2)C3)N1
InChIInChI=1S/C16H24N2O2/c19-14-2-1-13(18-14)15(20)17-9-16-6-10-3-11(7-16)5-12(4-10)8-16/h10-13H,1-9H2,(H,17,20)(H,18,19)/t10?,11?,12?,13-,16?/m1/s1
InChIKeyGKUUBSFXCABKIV-RRHJKOLHSA-N
MW276.38 g/mol
LogP1.60
Rot. Bonds3

About (2R)-N-(1-adamantylmethyl)-5-oxopyrrolidine-2-carboxamide

(2R)-N-(1-adamantylmethyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 42554316) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R)-N-(1-adamantylmethyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1-adamantylmethyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID42554316
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2R)-N-(1-adamantylmethyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NCC23CC4CC(CC(C4)C2)C3)N1
InChIInChI=1S/C16H24N2O2/c19-14-2-1-13(18-14)15(20)17-9-16-6-10-3-11(7-16)5-12(4-10)8-16/h10-13H,1-9H2,(H,17,20)(H,18,19)/t10?,11?,12?,13-,16?/m1/s1
InChIKeyGKUUBSFXCABKIV-RRHJKOLHSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-adamantylmethyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(1-adamantylmethyl)-5-oxopyrrolidine-2-carboxamide (CID 42554316) is (2R)-N-(1-adamantylmethyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(1-adamantylmethyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(1-adamantylmethyl)-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@H](C(=O)NCC23CC4CC(CC(C4)C2)C3)N1.
What is the InChIKey of (2R)-N-(1-adamantylmethyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is GKUUBSFXCABKIV-RRHJKOLHSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-14-2-1-13(18-14)15(20)17-9-16-6-10-3-11(7-16)5-12(4-10)8-16/h10-13H,1-9H2,(H,17,20)(H,18,19)/t10?,11?,12?,13-,16?/m1/s1.
What are the key properties of (2R)-N-(1-adamantylmethyl)-5-oxopyrrolidine-2-carboxamide?
(2R)-N-(1-adamantylmethyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-adamantylmethyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 42554316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).