methyl 2-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate;hydrochloride

C11H21ClN2O4 — CID 120922192

IUPACmethyl 2-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate;hydrochloride
SMILESCCC(NC(=O)[C@H]1NCCO[C@@H]1C)C(=O)OC.Cl
InChIInChI=1S/C11H20N2O4.ClH/c1-4-8(11(15)16-3)13-10(14)9-7(2)17-6-5-12-9;/h7-9,12H,4-6H2,1-3H3,(H,13,14);1H/t7-,8?,9+;/m1./s1
InChIKeyMPBHOPPPDXNGMD-DFWWGSRDSA-N
MW280.75 g/mol
LogP-0.15
Rot. Bonds4

About methyl 2-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate;hydrochloride

methyl 2-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate;hydrochloride (PubChem CID 120922192) has the molecular formula C11H21ClN2O4 and a molecular weight of 280.75 g/mol. Its IUPAC name is methyl 2-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate;hydrochloride
PubChem CID120922192
Molecular FormulaC11H21ClN2O4
Molecular Weight280.75 g/mol
Exact Mass280.12
IUPAC Namemethyl 2-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate;hydrochloride
SMILESCCC(NC(=O)[C@H]1NCCO[C@@H]1C)C(=O)OC.Cl
InChIInChI=1S/C11H20N2O4.ClH/c1-4-8(11(15)16-3)13-10(14)9-7(2)17-6-5-12-9;/h7-9,12H,4-6H2,1-3H3,(H,13,14);1H/t7-,8?,9+;/m1./s1
InChIKeyMPBHOPPPDXNGMD-DFWWGSRDSA-N
XLogP-0.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-methylmorpholine-3-carboxamide
CID 130647463
methyl 3-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate
CID 120920090
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208
methyl 2-(morpholine-3-carbonylamino)butanoate
CID 119709002
methyl 2-methylmorpholine-3-carboxylate;hydrochloride
CID 138113042
N,2-dimethylmorpholine-3-carboxamide
CID 131024914
(2R,3S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120925471
(2R,3S)-2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide
CID 120933426
(2R,3S)-N-(2-aminopropyl)-2-methylmorpholine-3-carboxamide
CID 131110844
ethyl (2R,3S)-2-methylmorpholine-3-carboxylate
CID 90001541
(2R,3S)-N-(3-cyclohexylbutan-2-yl)-2-methylmorpholine-3-carboxamide
CID 120935794

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate;hydrochloride?
The IUPAC name of methyl 2-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate;hydrochloride (CID 120922192) is methyl 2-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate;hydrochloride.
What is the SMILES notation for methyl 2-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate;hydrochloride?
The canonical SMILES for methyl 2-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate;hydrochloride is CCC(NC(=O)[C@H]1NCCO[C@@H]1C)C(=O)OC.Cl.
What is the InChIKey of methyl 2-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate;hydrochloride?
The InChIKey is MPBHOPPPDXNGMD-DFWWGSRDSA-N. The full InChI is InChI=1S/C11H20N2O4.ClH/c1-4-8(11(15)16-3)13-10(14)9-7(2)17-6-5-12-9;/h7-9,12H,4-6H2,1-3H3,(H,13,14);1H/t7-,8?,9+;/m1./s1.
What are the key properties of methyl 2-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate;hydrochloride?
methyl 2-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate;hydrochloride has a molecular weight of 280.75 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate;hydrochloride is sourced from PubChem (CID 120922192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).