2-[[1-(2-methoxyethyl)cyclobutanecarbonyl]-methylamino]acetic acid

C11H19NO4 — CID 119346158

IUPAC2-[[1-(2-methoxyethyl)cyclobutanecarbonyl]-methylamino]acetic acid
SMILESCOCCC1(C(=O)N(C)CC(=O)O)CCC1
InChIInChI=1S/C11H19NO4/c1-12(8-9(13)14)10(15)11(4-3-5-11)6-7-16-2/h3-8H2,1-2H3,(H,13,14)
InChIKeyZKNBVFFHYDDZNE-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.74
Rot. Bonds6

About 2-[[1-(2-methoxyethyl)cyclobutanecarbonyl]-methylamino]acetic acid

2-[[1-(2-methoxyethyl)cyclobutanecarbonyl]-methylamino]acetic acid (PubChem CID 119346158) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)cyclobutanecarbonyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)cyclobutanecarbonyl]-methylamino]acetic acid
PubChem CID119346158
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[[1-(2-methoxyethyl)cyclobutanecarbonyl]-methylamino]acetic acid
SMILESCOCCC1(C(=O)N(C)CC(=O)O)CCC1
InChIInChI=1S/C11H19NO4/c1-12(8-9(13)14)10(15)11(4-3-5-11)6-7-16-2/h3-8H2,1-2H3,(H,13,14)
InChIKeyZKNBVFFHYDDZNE-UHFFFAOYSA-N
XLogP0.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
CID 66023970
N-(3-amino-4-methylpentyl)-1-(2-methoxyethyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119660903
2-[(1-benzylcyclobutanecarbonyl)-methylamino]acetic acid
CID 119346553
1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid
CID 103181465
1-[2-[2-(dimethylamino)ethoxy]ethyl]cyclobutane-1-carboxylic acid
CID 123411679
4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride
CID 67624891
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 105419766
1-[3-methoxypropyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62985662
1-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
CID 103410978
N-(2-amino-2-methylpropyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 119629492
N-(2-aminoethyl)-1-(2-methoxyethyl)cyclobutane-1-carboxamide;hydrochloride
CID 119384705
1-[2-methoxyethyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63136210

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)cyclobutanecarbonyl]-methylamino]acetic acid?
The IUPAC name of 2-[[1-(2-methoxyethyl)cyclobutanecarbonyl]-methylamino]acetic acid (CID 119346158) is 2-[[1-(2-methoxyethyl)cyclobutanecarbonyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)cyclobutanecarbonyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[1-(2-methoxyethyl)cyclobutanecarbonyl]-methylamino]acetic acid is COCCC1(C(=O)N(C)CC(=O)O)CCC1.
What is the InChIKey of 2-[[1-(2-methoxyethyl)cyclobutanecarbonyl]-methylamino]acetic acid?
The InChIKey is ZKNBVFFHYDDZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-12(8-9(13)14)10(15)11(4-3-5-11)6-7-16-2/h3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[[1-(2-methoxyethyl)cyclobutanecarbonyl]-methylamino]acetic acid?
2-[[1-(2-methoxyethyl)cyclobutanecarbonyl]-methylamino]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)cyclobutanecarbonyl]-methylamino]acetic acid is sourced from PubChem (CID 119346158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).