3-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid

C11H19NO4 — CID 103161704

IUPAC3-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid
SMILESCCOC1CC(CC(=O)NCCC(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-2-16-9-5-8(6-9)7-10(13)12-4-3-11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyOIVQXEAUFIDCRI-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.78
Rot. Bonds7

About 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid

3-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid (PubChem CID 103161704) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid
PubChem CID103161704
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid
SMILESCCOC1CC(CC(=O)NCCC(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-2-16-9-5-8(6-9)7-10(13)12-4-3-11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyOIVQXEAUFIDCRI-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103270497
N-ethyl-2-(3-hydroxycyclobutyl)acetamide
CID 129280943
Propan-2-yl 5-[(3-hydroxy-2-methylpropyl)amino]-2-methyl-5-oxopentanoate
CID 139360179
5-[3-(4-Carboxyhexan-2-yloxy)propylamino]-2-ethyl-5-oxopentanoic acid
CID 145747186
2-(3-hydroxycyclobutyl)-N-propylacetamide
CID 170235586
3-Methyl-5-oxo-5-[2-(oxolan-2-yl)ethylamino]pentanoic acid
CID 55155032
3,3-Dimethyl-5-oxo-5-(3-propan-2-yloxypropylamino)pentanoic acid
CID 62933014
5-(3-Cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62964201
3-Methyl-5-oxo-5-(3-propan-2-yloxypropylamino)pentanoic acid
CID 62964549
5-(3-Ethoxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62965027
5-[(3-Ethoxy-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965444
3-Methyl-5-[3-(2-methylpropoxy)propylamino]-5-oxopentanoic acid
CID 62966444

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid (CID 103161704) is 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid is CCOC1CC(CC(=O)NCCC(=O)O)C1.
What is the InChIKey of 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid?
The InChIKey is OIVQXEAUFIDCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-16-9-5-8(6-9)7-10(13)12-4-3-11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid?
3-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 103161704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).