(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride

C8H18ClN3O2 — CID 131186208

IUPAC(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCN.Cl
InChIInChI=1S/C8H17N3O2.ClH/c1-6-7(10-4-5-13-6)8(12)11-3-2-9;/h6-7,10H,2-5,9H2,1H3,(H,11,12);1H/t6-,7+;/m1./s1
InChIKeyHJNLKYGQOZHKIM-HHQFNNIRSA-N
MW223.70 g/mol
LogP-1.14
Rot. Bonds3

About (2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 131186208) has the molecular formula C8H18ClN3O2 and a molecular weight of 223.70 g/mol. Its IUPAC name is (2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID131186208
Molecular FormulaC8H18ClN3O2
Molecular Weight223.70 g/mol
Exact Mass223.11
IUPAC Name(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCN.Cl
InChIInChI=1S/C8H17N3O2.ClH/c1-6-7(10-4-5-13-6)8(12)11-3-2-9;/h6-7,10H,2-5,9H2,1H3,(H,11,12);1H/t6-,7+;/m1./s1
InChIKeyHJNLKYGQOZHKIM-HHQFNNIRSA-N
XLogP-1.14
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120924338
(2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide
CID 131110844
(2R,3S)-N-[2-(cyclopropylmethoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928483
(2R,3S)-N-[2-[cyclohexyl(methyl)amino]ethyl]-2-methylmorpholine-3-carboxamide
CID 120939245
(2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120937480
(2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide
CID 120942873
(2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide
CID 120931039
(2R,3S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)morpholine-3-carboxamide;hydrochloride
CID 120923595
(2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide
CID 120919423
(2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 120939222
N,2-dimethylmorpholine-3-carboxamide
CID 131024914

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride (CID 131186208) is (2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NCCN.Cl.
What is the InChIKey of (2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is HJNLKYGQOZHKIM-HHQFNNIRSA-N. The full InChI is InChI=1S/C8H17N3O2.ClH/c1-6-7(10-4-5-13-6)8(12)11-3-2-9;/h6-7,10H,2-5,9H2,1H3,(H,11,12);1H/t6-,7+;/m1./s1.
What are the key properties of (2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of -1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 131186208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).