4-[[3-(2-ethoxyethoxy)azetidine-1-carbonyl]amino]butanoic acid

C12H22N2O5 — CID 122022923

IUPAC4-[[3-(2-ethoxyethoxy)azetidine-1-carbonyl]amino]butanoic acid
SMILESCCOCCOC1CN(C(=O)NCCCC(=O)O)C1
InChIInChI=1S/C12H22N2O5/c1-2-18-6-7-19-10-8-14(9-10)12(17)13-5-3-4-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyLESQATMLJRLYFT-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.30
Rot. Bonds9

About 4-[[3-(2-ethoxyethoxy)azetidine-1-carbonyl]amino]butanoic acid

4-[[3-(2-ethoxyethoxy)azetidine-1-carbonyl]amino]butanoic acid (PubChem CID 122022923) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[[3-(2-ethoxyethoxy)azetidine-1-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[3-(2-ethoxyethoxy)azetidine-1-carbonyl]amino]butanoic acid
PubChem CID122022923
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name4-[[3-(2-ethoxyethoxy)azetidine-1-carbonyl]amino]butanoic acid
SMILESCCOCCOC1CN(C(=O)NCCCC(=O)O)C1
InChIInChI=1S/C12H22N2O5/c1-2-18-6-7-19-10-8-14(9-10)12(17)13-5-3-4-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)
InChIKeyLESQATMLJRLYFT-UHFFFAOYSA-N
XLogP0.30
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid
CID 61187052
3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 55251437
3-[[3-(3-phenoxypropoxy)azetidine-1-carbonyl]amino]propanoic acid
CID 122018551
3-[[3-(3-phenylpropoxy)azetidine-1-carbonyl]amino]propanoic acid
CID 122018006
4-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]butanoic acid
CID 81475356
1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 43318547
1-(4-ethoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122316
4-(3-azabicyclo[3.3.1]nonane-3-carbonylamino)butanoic acid
CID 114196661
18-[[6-(2-ethoxyethylamino)-6-oxohexyl]amino]-18-oxooctadecanoic acid
CID 176877409
4-(2-ethoxyethylamino)butanoic acid
CID 43457194
6-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)hexanoic acid
CID 66372266
4-[[4-(2-ethoxy-2-oxoethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021590

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-ethoxyethoxy)azetidine-1-carbonyl]amino]butanoic acid?
The IUPAC name of 4-[[3-(2-ethoxyethoxy)azetidine-1-carbonyl]amino]butanoic acid (CID 122022923) is 4-[[3-(2-ethoxyethoxy)azetidine-1-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-[[3-(2-ethoxyethoxy)azetidine-1-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-[[3-(2-ethoxyethoxy)azetidine-1-carbonyl]amino]butanoic acid is CCOCCOC1CN(C(=O)NCCCC(=O)O)C1.
What is the InChIKey of 4-[[3-(2-ethoxyethoxy)azetidine-1-carbonyl]amino]butanoic acid?
The InChIKey is LESQATMLJRLYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-2-18-6-7-19-10-8-14(9-10)12(17)13-5-3-4-11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 4-[[3-(2-ethoxyethoxy)azetidine-1-carbonyl]amino]butanoic acid?
4-[[3-(2-ethoxyethoxy)azetidine-1-carbonyl]amino]butanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.30, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-ethoxyethoxy)azetidine-1-carbonyl]amino]butanoic acid is sourced from PubChem (CID 122022923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).