(2S)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrrolidine-2-carboxamide;hydrochloride

C13H25ClN2O2 — CID 119343223

IUPAC(2S)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCOC1(C)CC(NC(=O)[C@@H]2CCCN2)C1(C)C.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-12(2)10(8-13(12,3)17-4)15-11(16)9-6-5-7-14-9;/h9-10,14H,5-8H2,1-4H3,(H,15,16);1H/t9-,10?,13?;/m0./s1
InChIKeyUELMOTKFARXIQI-KVIBSRABSA-N
MW276.81 g/mol
LogP1.48
Rot. Bonds3

About (2S)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119343223) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is (2S)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119343223
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name(2S)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCOC1(C)CC(NC(=O)[C@@H]2CCCN2)C1(C)C.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-12(2)10(8-13(12,3)17-4)15-11(16)9-6-5-7-14-9;/h9-10,14H,5-8H2,1-4H3,(H,15,16);1H/t9-,10?,13?;/m0./s1
InChIKeyUELMOTKFARXIQI-KVIBSRABSA-N
XLogP1.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-3-carboxamide
CID 124778076
(2S)-N-(2,2-dimethylcyclopropyl)piperidine-2-carboxamide
CID 104913794
(2S)-N-(2-ethyl-2-methylcyclopropyl)pyrrolidine-2-carboxamide
CID 131000663
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
(2R)-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyrrolidine-2-carboxamide
CID 113264272
N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 18072889
(2S)-N-(3-hydroxy-3-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 90063250
(2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide
CID 64733303
(2R)-N-(1,1-dimethoxypropan-2-yl)pyrrolidine-2-carboxamide
CID 104901176
(2S)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidine-2-carboxamide
CID 79362349
(2S)-N-(2-methoxycyclopentyl)piperidine-2-carboxamide
CID 104913815
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119343223) is (2S)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrrolidine-2-carboxamide;hydrochloride is COC1(C)CC(NC(=O)[C@@H]2CCCN2)C1(C)C.Cl.
What is the InChIKey of (2S)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is UELMOTKFARXIQI-KVIBSRABSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-12(2)10(8-13(12,3)17-4)15-11(16)9-6-5-7-14-9;/h9-10,14H,5-8H2,1-4H3,(H,15,16);1H/t9-,10?,13?;/m0./s1.
What are the key properties of (2S)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methoxy-2,2,3-trimethylcyclobutyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119343223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).