2-(1-adamantylamino)-1-(3-hydroxypyrrolidin-1-yl)ethanone

C16H26N2O2 — CID 10858831

IUPAC2-(1-adamantylamino)-1-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESO=C(CNC12CC3CC(CC(C3)C1)C2)N1CCC(O)C1
InChIInChI=1S/C16H26N2O2/c19-14-1-2-18(10-14)15(20)9-17-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-14,17,19H,1-10H2
InChIKeyAFOPJRPXLRLMHY-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.14
Rot. Bonds3

About 2-(1-adamantylamino)-1-(3-hydroxypyrrolidin-1-yl)ethanone

2-(1-adamantylamino)-1-(3-hydroxypyrrolidin-1-yl)ethanone (PubChem CID 10858831) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(1-adamantylamino)-1-(3-hydroxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-adamantylamino)-1-(3-hydroxypyrrolidin-1-yl)ethanone
PubChem CID10858831
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(1-adamantylamino)-1-(3-hydroxypyrrolidin-1-yl)ethanone
SMILESO=C(CNC12CC3CC(CC(C3)C1)C2)N1CCC(O)C1
InChIInChI=1S/C16H26N2O2/c19-14-1-2-18(10-14)15(20)9-17-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-14,17,19H,1-10H2
InChIKeyAFOPJRPXLRLMHY-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)-1-(3-hydroxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(1-adamantylamino)-1-(3-hydroxypyrrolidin-1-yl)ethanone (CID 10858831) is 2-(1-adamantylamino)-1-(3-hydroxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(1-adamantylamino)-1-(3-hydroxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(1-adamantylamino)-1-(3-hydroxypyrrolidin-1-yl)ethanone is O=C(CNC12CC3CC(CC(C3)C1)C2)N1CCC(O)C1.
What is the InChIKey of 2-(1-adamantylamino)-1-(3-hydroxypyrrolidin-1-yl)ethanone?
The InChIKey is AFOPJRPXLRLMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c19-14-1-2-18(10-14)15(20)9-17-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-14,17,19H,1-10H2.
What are the key properties of 2-(1-adamantylamino)-1-(3-hydroxypyrrolidin-1-yl)ethanone?
2-(1-adamantylamino)-1-(3-hydroxypyrrolidin-1-yl)ethanone has a molecular weight of 278.40 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylamino)-1-(3-hydroxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 10858831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).