(2R)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2-oxopyrrolidin-1-yl)butanamide

C16H28N2O3 — CID 96565533

IUPAC(2R)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@H](C(=O)N[C@H]1C[C@@](C)(OC)C1(C)C)N1CCCC1=O
InChIInChI=1S/C16H28N2O3/c1-6-11(18-9-7-8-13(18)19)14(20)17-12-10-16(4,21-5)15(12,2)3/h11-12H,6-10H2,1-5H3,(H,17,20)/t11-,12+,16-/m1/s1
InChIKeyJYHIMCTXOQUTEI-BFQNTYOBSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds5

About (2R)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2-oxopyrrolidin-1-yl)butanamide

(2R)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 96565533) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is (2R)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID96565533
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name(2R)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC[C@H](C(=O)N[C@H]1C[C@@](C)(OC)C1(C)C)N1CCCC1=O
InChIInChI=1S/C16H28N2O3/c1-6-11(18-9-7-8-13(18)19)14(20)17-12-10-16(4,21-5)15(12,2)3/h11-12H,6-10H2,1-5H3,(H,17,20)/t11-,12+,16-/m1/s1
InChIKeyJYHIMCTXOQUTEI-BFQNTYOBSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2R)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2-oxopyrrolidin-1-yl)butanamide (CID 96565533) is (2R)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2R)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2R)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2-oxopyrrolidin-1-yl)butanamide is CC[C@H](C(=O)N[C@H]1C[C@@](C)(OC)C1(C)C)N1CCCC1=O.
What is the InChIKey of (2R)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is JYHIMCTXOQUTEI-BFQNTYOBSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-6-11(18-9-7-8-13(18)19)14(20)17-12-10-16(4,21-5)15(12,2)3/h11-12H,6-10H2,1-5H3,(H,17,20)/t11-,12+,16-/m1/s1.
What are the key properties of (2R)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2-oxopyrrolidin-1-yl)butanamide?
(2R)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 296.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 96565533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).