(2R,5R)-2,5-bis(methoxymethyl)-N-oxopyrrolidine-1-carboxamide

C9H16N2O4 — CID 15358999

IUPAC(2R,5R)-2,5-bis(methoxymethyl)-N-oxopyrrolidine-1-carboxamide
SMILESCOC[C@H]1CC[C@H](COC)N1C(=O)N=O
InChIInChI=1S/C9H16N2O4/c1-14-5-7-3-4-8(6-15-2)11(7)9(12)10-13/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyPSGRSNPHDATEPK-HTQZYQBOSA-N
MW216.24 g/mol
LogP1.00
Rot. Bonds4

About (2R,5R)-2,5-bis(methoxymethyl)-N-oxopyrrolidine-1-carboxamide

(2R,5R)-2,5-bis(methoxymethyl)-N-oxopyrrolidine-1-carboxamide (PubChem CID 15358999) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2R,5R)-2,5-bis(methoxymethyl)-N-oxopyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,5R)-2,5-bis(methoxymethyl)-N-oxopyrrolidine-1-carboxamide
PubChem CID15358999
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(2R,5R)-2,5-bis(methoxymethyl)-N-oxopyrrolidine-1-carboxamide
SMILESCOC[C@H]1CC[C@H](COC)N1C(=O)N=O
InChIInChI=1S/C9H16N2O4/c1-14-5-7-3-4-8(6-15-2)11(7)9(12)10-13/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyPSGRSNPHDATEPK-HTQZYQBOSA-N
XLogP1.00
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-bis(methoxymethyl)-N-oxopyrrolidine-1-carboxamide?
The IUPAC name of (2R,5R)-2,5-bis(methoxymethyl)-N-oxopyrrolidine-1-carboxamide (CID 15358999) is (2R,5R)-2,5-bis(methoxymethyl)-N-oxopyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,5R)-2,5-bis(methoxymethyl)-N-oxopyrrolidine-1-carboxamide?
The canonical SMILES for (2R,5R)-2,5-bis(methoxymethyl)-N-oxopyrrolidine-1-carboxamide is COC[C@H]1CC[C@H](COC)N1C(=O)N=O.
What is the InChIKey of (2R,5R)-2,5-bis(methoxymethyl)-N-oxopyrrolidine-1-carboxamide?
The InChIKey is PSGRSNPHDATEPK-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-14-5-7-3-4-8(6-15-2)11(7)9(12)10-13/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (2R,5R)-2,5-bis(methoxymethyl)-N-oxopyrrolidine-1-carboxamide?
(2R,5R)-2,5-bis(methoxymethyl)-N-oxopyrrolidine-1-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,5-bis(methoxymethyl)-N-oxopyrrolidine-1-carboxamide is sourced from PubChem (CID 15358999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).