[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate

C17H23NO5 — CID 74030455

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate
SMILESO=C1CCCN1C(=O)COC(=O)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C17H23NO5/c19-13-2-1-3-18(13)14(20)9-23-15(21)16-5-11-4-12(6-16)8-17(22,7-11)10-16/h11-12,22H,1-10H2
InChIKeyUPQPVDMAJYKIHO-UHFFFAOYSA-N
MW321.37 g/mol
LogP1.01
Rot. Bonds3

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate (PubChem CID 74030455) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate
PubChem CID74030455
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate
SMILESO=C1CCCN1C(=O)COC(=O)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C17H23NO5/c19-13-2-1-3-18(13)14(20)9-23-15(21)16-5-11-4-12(6-16)8-17(22,7-11)10-16/h11-12,22H,1-10H2
InChIKeyUPQPVDMAJYKIHO-UHFFFAOYSA-N
XLogP1.01
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate (CID 74030455) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate is O=C1CCCN1C(=O)COC(=O)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate?
The InChIKey is UPQPVDMAJYKIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c19-13-2-1-3-18(13)14(20)9-23-15(21)16-5-11-4-12(6-16)8-17(22,7-11)10-16/h11-12,22H,1-10H2.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-hydroxyadamantane-1-carboxylate has a molecular weight of 321.37 g/mol, XLogP of 1.01, 3 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-hydroxyadamantane-1-carboxylate is sourced from PubChem (CID 74030455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).