(2R)-3-methyl-2-(oxan-4-ylamino)-1-pyrrolidin-1-ylbutan-1-one

C14H26N2O2 — CID 70986151

IUPAC(2R)-3-methyl-2-(oxan-4-ylamino)-1-pyrrolidin-1-ylbutan-1-one
SMILESCC(C)[C@@H](NC1CCOCC1)C(=O)N1CCCC1
InChIInChI=1S/C14H26N2O2/c1-11(2)13(14(17)16-7-3-4-8-16)15-12-5-9-18-10-6-12/h11-13,15H,3-10H2,1-2H3/t13-/m1/s1
InChIKeyQZKHUNVJHRUYMD-CYBMUJFWSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds4

About (2R)-3-methyl-2-(oxan-4-ylamino)-1-pyrrolidin-1-ylbutan-1-one

(2R)-3-methyl-2-(oxan-4-ylamino)-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 70986151) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2R)-3-methyl-2-(oxan-4-ylamino)-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name(2R)-3-methyl-2-(oxan-4-ylamino)-1-pyrrolidin-1-ylbutan-1-one
PubChem CID70986151
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2R)-3-methyl-2-(oxan-4-ylamino)-1-pyrrolidin-1-ylbutan-1-one
SMILESCC(C)[C@@H](NC1CCOCC1)C(=O)N1CCCC1
InChIInChI=1S/C14H26N2O2/c1-11(2)13(14(17)16-7-3-4-8-16)15-12-5-9-18-10-6-12/h11-13,15H,3-10H2,1-2H3/t13-/m1/s1
InChIKeyQZKHUNVJHRUYMD-CYBMUJFWSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(oxan-4-ylamino)-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of (2R)-3-methyl-2-(oxan-4-ylamino)-1-pyrrolidin-1-ylbutan-1-one (CID 70986151) is (2R)-3-methyl-2-(oxan-4-ylamino)-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for (2R)-3-methyl-2-(oxan-4-ylamino)-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for (2R)-3-methyl-2-(oxan-4-ylamino)-1-pyrrolidin-1-ylbutan-1-one is CC(C)[C@@H](NC1CCOCC1)C(=O)N1CCCC1.
What is the InChIKey of (2R)-3-methyl-2-(oxan-4-ylamino)-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is QZKHUNVJHRUYMD-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)13(14(17)16-7-3-4-8-16)15-12-5-9-18-10-6-12/h11-13,15H,3-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(oxan-4-ylamino)-1-pyrrolidin-1-ylbutan-1-one?
(2R)-3-methyl-2-(oxan-4-ylamino)-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(oxan-4-ylamino)-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 70986151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).