(2R,3S)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)morpholine-3-carboxamide;hydrochloride

C12H21ClN2O3 — CID 120933478

IUPAC(2R,3S)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CC2CCC1O2.Cl
InChIInChI=1S/C12H20N2O3.ClH/c1-7-11(13-4-5-16-7)12(15)14-9-6-8-2-3-10(9)17-8;/h7-11,13H,2-6H2,1H3,(H,14,15);1H/t7-,8?,9?,10?,11+;/m1./s1
InChIKeyVDDAFAKXQSYEFO-HZBBPFALSA-N
MW276.76 g/mol
LogP0.22
Rot. Bonds2

About (2R,3S)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)morpholine-3-carboxamide;hydrochloride

(2R,3S)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)morpholine-3-carboxamide;hydrochloride (PubChem CID 120933478) has the molecular formula C12H21ClN2O3 and a molecular weight of 276.76 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)morpholine-3-carboxamide;hydrochloride
PubChem CID120933478
Molecular FormulaC12H21ClN2O3
Molecular Weight276.76 g/mol
Exact Mass276.12
IUPAC Name(2R,3S)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)morpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NC1CC2CCC1O2.Cl
InChIInChI=1S/C12H20N2O3.ClH/c1-7-11(13-4-5-16-7)12(15)14-9-6-8-2-3-10(9)17-8;/h7-11,13H,2-6H2,1H3,(H,14,15);1H/t7-,8?,9?,10?,11+;/m1./s1
InChIKeyVDDAFAKXQSYEFO-HZBBPFALSA-N
XLogP0.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)morpholine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

(2R,3S)-N-cyclopentyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917508
(2R,3S)-2-methyl-N-(3-methylcyclobutyl)morpholine-3-carboxamide;hydrochloride
CID 120933471
N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119327690
(2R,3S)-2-methyl-N-(2,2,3,3-tetramethylcyclopropyl)morpholine-3-carboxamide;hydrochloride
CID 120937079
(2R,3S)-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide
CID 120942818
N,2-dimethylmorpholine-3-carboxamide
CID 131024914
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
(2R,3S)-2-methyl-N-(thian-4-yl)morpholine-3-carboxamide
CID 120929940
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 80731930
(2R,3S)-2-methyl-N-(4-propylcyclohexyl)morpholine-3-carboxamide;hydrochloride
CID 120927900

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)morpholine-3-carboxamide;hydrochloride (CID 120933478) is (2R,3S)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)morpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NC1CC2CCC1O2.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)morpholine-3-carboxamide;hydrochloride?
The InChIKey is VDDAFAKXQSYEFO-HZBBPFALSA-N. The full InChI is InChI=1S/C12H20N2O3.ClH/c1-7-11(13-4-5-16-7)12(15)14-9-6-8-2-3-10(9)17-8;/h7-11,13H,2-6H2,1H3,(H,14,15);1H/t7-,8?,9?,10?,11+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)morpholine-3-carboxamide;hydrochloride has a molecular weight of 276.76 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120933478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).