(3S)-3-[[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one

C15H28N2O2 — CID 129423806

IUPAC(3S)-3-[[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one
SMILESCCCCO[C@@H]1C[C@@H](N[C@H]2CCN(C)C2=O)C1(C)C
InChIInChI=1S/C15H28N2O2/c1-5-6-9-19-13-10-12(15(13,2)3)16-11-7-8-17(4)14(11)18/h11-13,16H,5-10H2,1-4H3/t11-,12+,13+/m0/s1
InChIKeyPYFLVOMQWNGHTF-YNEHKIRRSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds6

About (3S)-3-[[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one

(3S)-3-[[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one (PubChem CID 129423806) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (3S)-3-[[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one
PubChem CID129423806
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(3S)-3-[[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one
SMILESCCCCO[C@@H]1C[C@@H](N[C@H]2CCN(C)C2=O)C1(C)C
InChIInChI=1S/C15H28N2O2/c1-5-6-9-19-13-10-12(15(13,2)3)16-11-7-8-17(4)14(11)18/h11-13,16H,5-10H2,1-4H3/t11-,12+,13+/m0/s1
InChIKeyPYFLVOMQWNGHTF-YNEHKIRRSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3S)-3-[[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one with MolForge

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Related Compounds

(3S)-3-[[(1S,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one
CID 129423805
(8S)-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 124777137
cis-(1R,3S)-3-butoxy-N,2,2-trimethylcyclobutan-1-amine
CID 95757330
4-[(3-butoxy-2,2-dimethylcyclobutyl)amino]cyclohexane-1-carboxylic acid
CID 122031836
3-[(3-ethoxycyclobutyl)amino]-1-methylpyrrolidin-2-one
CID 103917757
(3R)-N-[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]-3-methylsulfonylpyrrolidine-1-carboxamide
CID 124873524
1-methyl-3-(3-propoxypropylamino)pyrrolidin-2-one
CID 82944318
(2R)-1-[(3-butoxy-2,2-dimethylcyclobutyl)amino]propan-2-ol
CID 103922183
5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-1-methylpiperidin-2-one
CID 64852724
3-butoxy-N-(2-chloroprop-2-enyl)-2,2-dimethylcyclobutan-1-amine
CID 115906348
1-ethyl-3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyrrolidine-2,5-dione
CID 114118967
3-[(2-hydroxy-3-octoxypropyl)amino]-1-methylpyrrolidin-2-one
CID 106256661

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one (CID 129423806) is (3S)-3-[[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-[[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one is CCCCO[C@@H]1C[C@@H](N[C@H]2CCN(C)C2=O)C1(C)C.
What is the InChIKey of (3S)-3-[[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is PYFLVOMQWNGHTF-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-6-9-19-13-10-12(15(13,2)3)16-11-7-8-17(4)14(11)18/h11-13,16H,5-10H2,1-4H3/t11-,12+,13+/m0/s1.
What are the key properties of (3S)-3-[[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one?
(3S)-3-[[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 268.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(1R,3R)-3-butoxy-2,2-dimethylcyclobutyl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 129423806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).