2-[2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]ethoxy]acetic acid

C13H24N2O5 — CID 114829545

IUPAC2-[2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]ethoxy]acetic acid
SMILESCCOC1CC(N)(C(=O)NCCOCC(=O)O)C1(C)C
InChIInChI=1S/C13H24N2O5/c1-4-20-9-7-13(14,12(9,2)3)11(18)15-5-6-19-8-10(16)17/h9H,4-8,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyDYFUOVCGBULMRU-UHFFFAOYSA-N
MW288.34 g/mol
LogP-0.26
Rot. Bonds8

About 2-[2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]ethoxy]acetic acid

2-[2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]ethoxy]acetic acid (PubChem CID 114829545) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]ethoxy]acetic acid
PubChem CID114829545
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name2-[2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]ethoxy]acetic acid
SMILESCCOC1CC(N)(C(=O)NCCOCC(=O)O)C1(C)C
InChIInChI=1S/C13H24N2O5/c1-4-20-9-7-13(14,12(9,2)3)11(18)15-5-6-19-8-10(16)17/h9H,4-8,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyDYFUOVCGBULMRU-UHFFFAOYSA-N
XLogP-0.26
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-ethoxy-N-[2-(2-methoxyethoxy)ethyl]-2,2-dimethylcyclobutane-1-carboxamide
CID 114829054
1-amino-3-ethoxy-N-(2-methoxyethyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114827759
1-amino-3-ethoxy-N-ethyl-2,2-dimethylcyclobutane-1-carboxamide
CID 114827765
1-amino-N-[2-(diethylamino)ethyl]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114827775
1-amino-3-ethoxy-N-hydroxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829312
1-amino-3-ethoxy-N-(4-hydroxybutyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 106842172
1-amino-N-(3-ethenoxypropyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114828882
1-amino-3-ethoxy-2,2-dimethyl-N-pent-3-ynylcyclobutane-1-carboxamide
CID 114830110
1-amino-3-ethoxy-2,2-dimethyl-N-(4-propan-2-yloxybutyl)cyclobutane-1-carboxamide
CID 106011244
1-amino-3-ethoxy-2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
CID 114828106
1-amino-N-(cyanomethyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114828942
1-amino-3-ethoxy-2,2-dimethyl-N-prop-2-enylcyclobutane-1-carboxamide
CID 114827944

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]ethoxy]acetic acid (CID 114829545) is 2-[2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]ethoxy]acetic acid is CCOC1CC(N)(C(=O)NCCOCC(=O)O)C1(C)C.
What is the InChIKey of 2-[2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]ethoxy]acetic acid?
The InChIKey is DYFUOVCGBULMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-4-20-9-7-13(14,12(9,2)3)11(18)15-5-6-19-8-10(16)17/h9H,4-8,14H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-[2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]ethoxy]acetic acid?
2-[2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]ethoxy]acetic acid has a molecular weight of 288.34 g/mol, XLogP of -0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 114829545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).