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

C14H29Cl2N3O3 — CID 120940954

IUPAC(2R,3S)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESCOCCN1CCCC1CNC(=O)[C@H]1NCCO[C@@H]1C.Cl.Cl
InChIInChI=1S/C14H27N3O3.2ClH/c1-11-13(15-5-8-20-11)14(18)16-10-12-4-3-6-17(12)7-9-19-2;;/h11-13,15H,3-10H2,1-2H3,(H,16,18);2*1H/t11-,12?,13+;;/m1../s1
InChIKeyGRJXFHSLIGAASZ-UTZDNYPZSA-N
MW358.31 g/mol
LogP0.43
Rot. Bonds6

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

(2R,3S)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride (PubChem CID 120940954) has the molecular formula C14H29Cl2N3O3 and a molecular weight of 358.31 g/mol. Its IUPAC name is (2R,3S)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
PubChem CID120940954
Molecular FormulaC14H29Cl2N3O3
Molecular Weight358.31 g/mol
Exact Mass357.16
IUPAC Name(2R,3S)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESCOCCN1CCCC1CNC(=O)[C@H]1NCCO[C@@H]1C.Cl.Cl
InChIInChI=1S/C14H27N3O3.2ClH/c1-11-13(15-5-8-20-11)14(18)16-10-12-4-3-6-17(12)7-9-19-2;;/h11-13,15H,3-10H2,1-2H3,(H,16,18);2*1H/t11-,12?,13+;;/m1../s1
InChIKeyGRJXFHSLIGAASZ-UTZDNYPZSA-N
XLogP0.43
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-3-carboxamide
CID 120939853
(2R,3S)-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylmorpholine-3-carboxamide
CID 120940981
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]morpholine-3-carboxamide
CID 119874815
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyrrolidine-2-carboxamide
CID 119874861
(2R,3S)-N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylmorpholine-3-carboxamide
CID 120939904
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119874871
(2R,3S)-2-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 120939237
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120939493
2-(1-hydroxycyclopentyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 111430877
3-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]butanamide;dihydrochloride
CID 119874866
(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-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The IUPAC name of (2R,3S)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride (CID 120940954) is (2R,3S)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (2R,3S)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for (2R,3S)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride is COCCN1CCCC1CNC(=O)[C@H]1NCCO[C@@H]1C.Cl.Cl.
What is the InChIKey of (2R,3S)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The InChIKey is GRJXFHSLIGAASZ-UTZDNYPZSA-N. The full InChI is InChI=1S/C14H27N3O3.2ClH/c1-11-13(15-5-8-20-11)14(18)16-10-12-4-3-6-17(12)7-9-19-2;;/h11-13,15H,3-10H2,1-2H3,(H,16,18);2*1H/t11-,12?,13+;;/m1../s1.
What are the key properties of (2R,3S)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
(2R,3S)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride has a molecular weight of 358.31 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120940954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).