(2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride

C11H21ClN2O2 — CID 120933471

IUPAC(2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)[C@H]2NCCO[C@@H]2C)C1.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-7-5-9(6-7)13-11(14)10-8(2)15-4-3-12-10;/h7-10,12H,3-6H2,1-2H3,(H,13,14);1H/t7?,8-,9?,10+;/m1./s1
InChIKeyPBXQLQCTCRIMLS-BAGLCZBCSA-N
MW248.75 g/mol
LogP0.70
Rot. Bonds2

About (2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride

(2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride (PubChem CID 120933471) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride
PubChem CID120933471
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Name(2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)[C@H]2NCCO[C@@H]2C)C1.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-7-5-9(6-7)13-11(14)10-8(2)15-4-3-12-10;/h7-10,12H,3-6H2,1-2H3,(H,13,14);1H/t7?,8-,9?,10+;/m1./s1
InChIKeyPBXQLQCTCRIMLS-BAGLCZBCSA-N
XLogP0.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-cyclopentyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917508
(2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide
CID 120929940
(2R,3S)-2-methyl-N-(2,2,3,3-tetramethylcyclopropyl)morpholine-3-carboxamide;hydrochloride
CID 120937079
(2R,3S)-2-methyl-N-(4-propylcyclohexyl)morpholine-3-carboxamide;hydrochloride
CID 120927900
N,2-dimethylmorpholine-3-carboxamide
CID 131024914
3-methyl-N-(3-methylcyclobutyl)pyrrolidine-2-carboxamide
CID 102780045
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-2-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)morpholine-3-carboxamide
CID 120928847
(2R,3S)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)morpholine-3-carboxamide;hydrochloride
CID 120933478
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)morpholine-3-carboxamide;hydrochloride
CID 120930374
(2R,3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919792

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride (CID 120933471) is (2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride is CC1CC(NC(=O)[C@H]2NCCO[C@@H]2C)C1.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride?
The InChIKey is PBXQLQCTCRIMLS-BAGLCZBCSA-N. The full InChI is InChI=1S/C11H20N2O2.ClH/c1-7-5-9(6-7)13-11(14)10-8(2)15-4-3-12-10;/h7-10,12H,3-6H2,1-2H3,(H,13,14);1H/t7?,8-,9?,10+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride has a molecular weight of 248.75 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120933471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).