(2S)-2-[methoxy(methyl)amino]oxycarbonylmorpholine-4-carboxylic acid

C8H14N2O6 — CID 174215532

IUPAC(2S)-2-[methoxy(methyl)amino]oxycarbonylmorpholine-4-carboxylic acid
SMILESCON(C)OC(=O)[C@@H]1CN(C(=O)O)CCO1
InChIInChI=1S/C8H14N2O6/c1-9(14-2)16-7(11)6-5-10(8(12)13)3-4-15-6/h6H,3-5H2,1-2H3,(H,12,13)/t6-/m0/s1
InChIKeyZAXCZDGHRPIOOH-LURJTMIESA-N
MW234.21 g/mol
LogP-0.68
Rot. Bonds3

About (2S)-2-[methoxy(methyl)amino]oxycarbonylmorpholine-4-carboxylic acid

(2S)-2-[methoxy(methyl)amino]oxycarbonylmorpholine-4-carboxylic acid (PubChem CID 174215532) has the molecular formula C8H14N2O6 and a molecular weight of 234.21 g/mol. Its IUPAC name is (2S)-2-[methoxy(methyl)amino]oxycarbonylmorpholine-4-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[methoxy(methyl)amino]oxycarbonylmorpholine-4-carboxylic acid
PubChem CID174215532
Molecular FormulaC8H14N2O6
Molecular Weight234.21 g/mol
Exact Mass234.09
IUPAC Name(2S)-2-[methoxy(methyl)amino]oxycarbonylmorpholine-4-carboxylic acid
SMILESCON(C)OC(=O)[C@@H]1CN(C(=O)O)CCO1
InChIInChI=1S/C8H14N2O6/c1-9(14-2)16-7(11)6-5-10(8(12)13)3-4-15-6/h6H,3-5H2,1-2H3,(H,12,13)/t6-/m0/s1
InChIKeyZAXCZDGHRPIOOH-LURJTMIESA-N
XLogP-0.68
TPSA88.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(dimethylcarbamoyl)morpholine-2-carboxylate
CID 78927141
2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid
CID 113330572
methyl 4-(piperidine-1-carbonyl)morpholine-2-carboxylate
CID 78927190
2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanedioic acid
CID 115535343
2-O-methyl 4-O-propan-2-yl morpholine-2,4-dicarboxylate
CID 115536113
(2S)-4-hydroxy-2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]butanoic acid
CID 107828590
methyl 4-(2,4,5-trimethylfuran-3-carbonyl)morpholine-2-carboxylate
CID 78926646
4-acetylmorpholine-2-carboxylic acid
CID 20598078
methyl 4-(2-bromo-3-methylbutanoyl)morpholine-2-carboxylate
CID 115534240
2-[(2-methoxycarbonylmorpholine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 115535345
2,2-diethyl-4-(2-methoxycarbonylmorpholin-4-yl)-4-oxobutanoic acid
CID 115534040
methyl 4-(bicyclo[4.1.0]heptane-7-carbonyl)morpholine-2-carboxylate
CID 79209422

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methoxy(methyl)amino]oxycarbonylmorpholine-4-carboxylic acid?
The IUPAC name of (2S)-2-[methoxy(methyl)amino]oxycarbonylmorpholine-4-carboxylic acid (CID 174215532) is (2S)-2-[methoxy(methyl)amino]oxycarbonylmorpholine-4-carboxylic acid.
What is the SMILES notation for (2S)-2-[methoxy(methyl)amino]oxycarbonylmorpholine-4-carboxylic acid?
The canonical SMILES for (2S)-2-[methoxy(methyl)amino]oxycarbonylmorpholine-4-carboxylic acid is CON(C)OC(=O)[C@@H]1CN(C(=O)O)CCO1.
What is the InChIKey of (2S)-2-[methoxy(methyl)amino]oxycarbonylmorpholine-4-carboxylic acid?
The InChIKey is ZAXCZDGHRPIOOH-LURJTMIESA-N. The full InChI is InChI=1S/C8H14N2O6/c1-9(14-2)16-7(11)6-5-10(8(12)13)3-4-15-6/h6H,3-5H2,1-2H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-[methoxy(methyl)amino]oxycarbonylmorpholine-4-carboxylic acid?
(2S)-2-[methoxy(methyl)amino]oxycarbonylmorpholine-4-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methoxy(methyl)amino]oxycarbonylmorpholine-4-carboxylic acid is sourced from PubChem (CID 174215532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).