2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid

C12H20N2O6 — CID 61424649

IUPAC2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid
SMILESCCC1COC(C)CN1C(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C12H20N2O6/c1-3-9-5-20-8(2)4-14(9)12(18)13-10(15)6-19-7-11(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)(H,13,15,18)
InChIKeyLNBUKPWYXVYAEH-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.18
Rot. Bonds5

About 2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid

2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 61424649) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid
PubChem CID61424649
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid
SMILESCCC1COC(C)CN1C(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C12H20N2O6/c1-3-9-5-20-8(2)4-14(9)12(18)13-10(15)6-19-7-11(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)(H,13,15,18)
InChIKeyLNBUKPWYXVYAEH-UHFFFAOYSA-N
XLogP-0.18
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 61424705
2-[2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-oxoethoxy]acetic acid
CID 104959235
2-[1-[[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81156840
5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid
CID 43578300
N-cyclopentyl-5-ethyl-2-methylmorpholine-4-carboxamide
CID 113222805
(2R)-2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566402
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 62669577
4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 80540606
2-hydroxyethyl 5-ethyl-2-methylmorpholine-4-carboxylate
CID 79345232
cyclopropyl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60645279
2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylpentanoic acid
CID 61424809
6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 43578297

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid (CID 61424649) is 2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid is CCC1COC(C)CN1C(=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is LNBUKPWYXVYAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-3-9-5-20-8(2)4-14(9)12(18)13-10(15)6-19-7-11(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)(H,13,15,18).
What are the key properties of 2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 288.30 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61424649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).