2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid

C12H22N2O5 — CID 102659048

IUPAC2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCOCCN(C)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C12H22N2O5/c1-4-18-6-5-13(3)11(17)14-8-12(2,9-14)19-7-10(15)16/h4-9H2,1-3H3,(H,15,16)
InChIKeyGKAKHQSTUAOUFN-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.25
Rot. Bonds7

About 2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid

2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102659048) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102659048
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCOCCN(C)C(=O)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C12H22N2O5/c1-4-18-6-5-13(3)11(17)14-8-12(2,9-14)19-7-10(15)16/h4-9H2,1-3H3,(H,15,16)
InChIKeyGKAKHQSTUAOUFN-UHFFFAOYSA-N
XLogP0.25
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-methyl-1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]azetidin-3-yl]oxyacetic acid
CID 106917169
2-[1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658695
2-[1-[ethyl(2-methoxyethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658693
2-[1-[bis(2-methylpropyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658652
2-[1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658697
2-[3-methyl-1-(3-propoxypropanoyl)azetidin-3-yl]oxyacetic acid
CID 102657646
2-[1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658788
2-[1-[(2-amino-2-oxoethyl)-butylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658780
2-[3-methyl-1-[methyl(piperidin-4-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
CID 102658660
2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 106670657
2-[4-[2-ethoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 81058100
N-(2-ethoxyethyl)-N,2-dimethylpropanamide
CID 11423854

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102659048) is 2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid is CCOCCN(C)C(=O)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is GKAKHQSTUAOUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-4-18-6-5-13(3)11(17)14-8-12(2,9-14)19-7-10(15)16/h4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 274.32 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-ethoxyethyl(methyl)carbamoyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).