(2R,3S)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride

C14H27Cl2N3O2 — CID 120939493

IUPAC(2R,3S)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCC1CCN(C2CC2)C1.Cl.Cl
InChIInChI=1S/C14H25N3O2.2ClH/c1-10-13(15-5-7-19-10)14(18)16-8-11-4-6-17(9-11)12-2-3-12;;/h10-13,15H,2-9H2,1H3,(H,16,18);2*1H/t10-,11?,13+;;/m1../s1
InChIKeyZCVLIIVTOIIBMM-RUZLOYDQSA-N
MW340.30 g/mol
LogP0.81
Rot. Bonds4

About (2R,3S)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride

(2R,3S)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride (PubChem CID 120939493) has the molecular formula C14H27Cl2N3O2 and a molecular weight of 340.30 g/mol. Its IUPAC name is (2R,3S)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
PubChem CID120939493
Molecular FormulaC14H27Cl2N3O2
Molecular Weight340.30 g/mol
Exact Mass339.15
IUPAC Name(2R,3S)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCC1CCN(C2CC2)C1.Cl.Cl
InChIInChI=1S/C14H25N3O2.2ClH/c1-10-13(15-5-7-19-10)14(18)16-8-11-4-6-17(9-11)12-2-3-12;;/h10-13,15H,2-9H2,1H3,(H,16,18);2*1H/t10-,11?,13+;;/m1../s1
InChIKeyZCVLIIVTOIIBMM-RUZLOYDQSA-N
XLogP0.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

(2R,3S)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide
CID 120939853
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 54927244
(2R,3S)-N-(1-cyclopropyl-4-methylpyrrolidin-3-yl)-2-methylmorpholine-3-carboxamide
CID 120942818
(2R,3S)-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylmorpholine-3-carboxamide
CID 120940981
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208
(2R,3S)-2-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]morpholine-3-carboxamide
CID 120940415
(2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 120939222
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119854849
(2R,3S)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120940954
(2R,3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919792
(2R,3S)-N-[2-(cyclopropylmethoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928483

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The IUPAC name of (2R,3S)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride (CID 120939493) is (2R,3S)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (2R,3S)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for (2R,3S)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NCC1CCN(C2CC2)C1.Cl.Cl.
What is the InChIKey of (2R,3S)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The InChIKey is ZCVLIIVTOIIBMM-RUZLOYDQSA-N. The full InChI is InChI=1S/C14H25N3O2.2ClH/c1-10-13(15-5-7-19-10)14(18)16-8-11-4-6-17(9-11)12-2-3-12;;/h10-13,15H,2-9H2,1H3,(H,16,18);2*1H/t10-,11?,13+;;/m1../s1.
What are the key properties of (2R,3S)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
(2R,3S)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride has a molecular weight of 340.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120939493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).