3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid

C10H17NO4 — CID 103555479

IUPAC3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid
SMILESCOC1(CC(=O)NCCC(=O)O)CCC1
InChIInChI=1S/C10H17NO4/c1-15-10(4-2-5-10)7-8(12)11-6-3-9(13)14/h2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyIBSPCYBDRQFIAG-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.54
Rot. Bonds6

About 3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid

3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid (PubChem CID 103555479) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid
PubChem CID103555479
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid
SMILESCOC1(CC(=O)NCCC(=O)O)CCC1
InChIInChI=1S/C10H17NO4/c1-15-10(4-2-5-10)7-8(12)11-6-3-9(13)14/h2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyIBSPCYBDRQFIAG-UHFFFAOYSA-N
XLogP0.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid (CID 103555479) is 3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid is COC1(CC(=O)NCCC(=O)O)CCC1.
What is the InChIKey of 3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid?
The InChIKey is IBSPCYBDRQFIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-15-10(4-2-5-10)7-8(12)11-6-3-9(13)14/h2-7H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid?
3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 103555479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).