(2R,3S)-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride

C13H25ClN2O2 — CID 120934792

IUPAC(2R,3S)-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride
SMILESCC(C)C1(CNC(=O)[C@H]2NCCO[C@@H]2C)CC1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-9(2)13(4-5-13)8-15-12(16)11-10(3)17-7-6-14-11;/h9-11,14H,4-8H2,1-3H3,(H,15,16);1H/t10-,11+;/m1./s1
InChIKeyYASVQDQQAILRLD-DHXVBOOMSA-N
MW276.81 g/mol
LogP1.34
Rot. Bonds4

About (2R,3S)-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride

(2R,3S)-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 120934792) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride
PubChem CID120934792
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name(2R,3S)-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride
SMILESCC(C)C1(CNC(=O)[C@H]2NCCO[C@@H]2C)CC1.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-9(2)13(4-5-13)8-15-12(16)11-10(3)17-7-6-14-11;/h9-11,14H,4-8H2,1-3H3,(H,15,16);1H/t10-,11+;/m1./s1
InChIKeyYASVQDQQAILRLD-DHXVBOOMSA-N
XLogP1.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-methyl-N-[(1-propylcyclopropyl)methyl]morpholine-3-carboxamide
CID 120937497
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide
CID 131110844
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208
(2R,3S)-2-methyl-N-[(1-phenylcyclobutyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120920621
(2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120937480
N-butan-2-yl-2-methylmorpholine-3-carboxamide
CID 130647463
N,2-dimethylmorpholine-3-carboxamide
CID 131024914
(2R,3S)-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120934617
(2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120924338
(2R,3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919792
(2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120930587

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride (CID 120934792) is (2R,3S)-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride is CC(C)C1(CNC(=O)[C@H]2NCCO[C@@H]2C)CC1.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is YASVQDQQAILRLD-DHXVBOOMSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-9(2)13(4-5-13)8-15-12(16)11-10(3)17-7-6-14-11;/h9-11,14H,4-8H2,1-3H3,(H,15,16);1H/t10-,11+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 1.34, 4 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-[(1-propan-2-ylcyclopropyl)methyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120934792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).