2-[(2,6-dimethyloxane-4-carbonyl)-methylamino]acetic acid

C11H19NO4 — CID 110835673

IUPAC2-[(2,6-dimethyloxane-4-carbonyl)-methylamino]acetic acid
SMILESCC1CC(C(=O)N(C)CC(=O)O)CC(C)O1
InChIInChI=1S/C11H19NO4/c1-7-4-9(5-8(2)16-7)11(15)12(3)6-10(13)14/h7-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyGAAQLWLOBRWXGB-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.73
Rot. Bonds3

About 2-[(2,6-dimethyloxane-4-carbonyl)-methylamino]acetic acid

2-[(2,6-dimethyloxane-4-carbonyl)-methylamino]acetic acid (PubChem CID 110835673) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[(2,6-dimethyloxane-4-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-dimethyloxane-4-carbonyl)-methylamino]acetic acid
PubChem CID110835673
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[(2,6-dimethyloxane-4-carbonyl)-methylamino]acetic acid
SMILESCC1CC(C(=O)N(C)CC(=O)O)CC(C)O1
InChIInChI=1S/C11H19NO4/c1-7-4-9(5-8(2)16-7)11(15)12(3)6-10(13)14/h7-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyGAAQLWLOBRWXGB-UHFFFAOYSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,6-dimethyloxane-4-carbonyl)-methylamino]propanoic acid
CID 110835691
2-[methyl(oxane-4-carbonyl)amino]acetic acid
CID 28778128
2-[(2,6-dimethyloxane-4-carbonyl)-methylamino]-3-methylbutanoic acid
CID 110835687
2-[(2R)-2,6-dimethyloxan-4-yl]acetic acid
CID 154927365
2-[(4-amino-3-chlorocyclohexanecarbonyl)-methylamino]acetic acid
CID 134465894
2-[methyl-(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750680
2-[cyclohex-3-ene-1-carbonyl(methyl)amino]acetic acid
CID 24696987
2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119136399
2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid
CID 43356245
2-[methyl-[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119172024
N-(2,2-diethyl-3-methoxycyclobutyl)-N,2,6-trimethyloxane-4-carboxamide
CID 75471046
3-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550402

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethyloxane-4-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2,6-dimethyloxane-4-carbonyl)-methylamino]acetic acid (CID 110835673) is 2-[(2,6-dimethyloxane-4-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2,6-dimethyloxane-4-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2,6-dimethyloxane-4-carbonyl)-methylamino]acetic acid is CC1CC(C(=O)N(C)CC(=O)O)CC(C)O1.
What is the InChIKey of 2-[(2,6-dimethyloxane-4-carbonyl)-methylamino]acetic acid?
The InChIKey is GAAQLWLOBRWXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7-4-9(5-8(2)16-7)11(15)12(3)6-10(13)14/h7-9H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-[(2,6-dimethyloxane-4-carbonyl)-methylamino]acetic acid?
2-[(2,6-dimethyloxane-4-carbonyl)-methylamino]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethyloxane-4-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 110835673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).