4-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]morpholine-3-carboxylic acid

C11H20N2O6 — CID 113467941

IUPAC4-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]morpholine-3-carboxylic acid
SMILESCOCCN(CCO)C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C11H20N2O6/c1-18-6-3-12(2-5-14)11(17)13-4-7-19-8-9(13)10(15)16/h9,14H,2-8H2,1H3,(H,15,16)
InChIKeyVTGGTZMNSSNVCJ-UHFFFAOYSA-N
MW276.29 g/mol
LogP-1.17
Rot. Bonds6

About 4-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]morpholine-3-carboxylic acid

4-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]morpholine-3-carboxylic acid (PubChem CID 113467941) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]morpholine-3-carboxylic acid
PubChem CID113467941
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name4-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]morpholine-3-carboxylic acid
SMILESCOCCN(CCO)C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C11H20N2O6/c1-18-6-3-12(2-5-14)11(17)13-4-7-19-8-9(13)10(15)16/h9,14H,2-8H2,1H3,(H,15,16)
InChIKeyVTGGTZMNSSNVCJ-UHFFFAOYSA-N
XLogP-1.17
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methoxyethyl-(3-methylmorpholine-4-carbonyl)amino]acetic acid
CID 79271907
N-(2-hydroxyethyl)-N-(2-methoxyethyl)morpholine-4-carboxamide
CID 115608967
4-[2-ethoxyethyl(methyl)carbamoyl]morpholine-3-carboxylic acid
CID 81058113
4-[2-methoxyethyl(3-methoxypropyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82902111
4-(2-propan-2-yloxyacetyl)morpholine-3-carboxylic acid
CID 112555118
1-[bis(2-hydroxyethyl)carbamoyl]azepane-2-carboxylic acid
CID 64564677
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]azepane-2-carboxylic acid
CID 64563520
3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid
CID 113451757
2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 104774718
2-[(3-methoxycarbonylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid
CID 104774702
(3R)-4-methylmorpholine-3-carboxylic acid
CID 66864905
4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid
CID 83017669

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]morpholine-3-carboxylic acid (CID 113467941) is 4-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]morpholine-3-carboxylic acid is COCCN(CCO)C(=O)N1CCOCC1C(=O)O.
What is the InChIKey of 4-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]morpholine-3-carboxylic acid?
The InChIKey is VTGGTZMNSSNVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-18-6-3-12(2-5-14)11(17)13-4-7-19-8-9(13)10(15)16/h9,14H,2-8H2,1H3,(H,15,16).
What are the key properties of 4-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]morpholine-3-carboxylic acid?
4-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]morpholine-3-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of -1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 113467941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).