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

C11H19NO4 — CID 103161707

IUPAC2-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid
SMILESCCOC1CC(CC(=O)NC(C)C(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-3-16-9-4-8(5-9)6-10(13)12-7(2)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyBYAKRCSZCULOBP-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.78
Rot. Bonds6

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

2-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid (PubChem CID 103161707) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid
PubChem CID103161707
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid
SMILESCCOC1CC(CC(=O)NC(C)C(=O)O)C1
InChIInChI=1S/C11H19NO4/c1-3-16-9-4-8(5-9)6-10(13)12-7(2)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyBYAKRCSZCULOBP-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

2-[[2-(3-Ethoxycyclobutyl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 103162049
(2S)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
CID 18654162
ethyl 2-[[(5R)-6-amino-5-hydroxyhexanoyl]amino]acetate
CID 46834345
3-Methyl-2-[(6-oxo-6-propan-2-yloxyhexanoyl)amino]butanoic acid
CID 58235473
2-(5,6-Dinitrooxyhexanoylamino)-3-methylpentanoic acid
CID 59287611
5-[[(2S)-1-butoxy-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 89014185
2-[5,6-Bis[(dihydroxyamino)oxy]hexanoylamino]-3-methylpentanoic acid
CID 89255195
2-[[2-(Oxan-4-yl)acetyl]amino]butanoic acid
CID 110837444
(2R)-2-[[(1R,3R)-3-hydroxycyclopentanecarbonyl]amino]propanoic acid
CID 117608245
3-Methyl-2-(5-nitrooxyheptanoylamino)pentanoic acid
CID 117612438
2-[[(1S,3R)-3-hydroxycyclopentanecarbonyl]amino]propanoic acid
CID 117690311
2-[[(1R,3R)-3-hydroxycyclopentanecarbonyl]amino]propanoic acid
CID 117690534

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid (CID 103161707) is 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid is CCOC1CC(CC(=O)NC(C)C(=O)O)C1.
What is the InChIKey of 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid?
The InChIKey is BYAKRCSZCULOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-16-9-4-8(5-9)6-10(13)12-7(2)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid?
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-ethoxycyclobutyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 103161707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).