3-[(3-methoxy-2,2,3-trimethylcyclobutyl)-methylamino]propanoic acid

C12H23NO3 — CID 119151975

IUPAC3-[(3-methoxy-2,2,3-trimethylcyclobutyl)-methylamino]propanoic acid
SMILESCOC1(C)CC(N(C)CCC(=O)O)C1(C)C
InChIInChI=1S/C12H23NO3/c1-11(2)9(8-12(11,3)16-5)13(4)7-6-10(14)15/h9H,6-8H2,1-5H3,(H,14,15)
InChIKeyMAFQHFLBEUGJHR-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.60
Rot. Bonds5

About 3-[(3-methoxy-2,2,3-trimethylcyclobutyl)-methylamino]propanoic acid

3-[(3-methoxy-2,2,3-trimethylcyclobutyl)-methylamino]propanoic acid (PubChem CID 119151975) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[(3-methoxy-2,2,3-trimethylcyclobutyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-methoxy-2,2,3-trimethylcyclobutyl)-methylamino]propanoic acid
PubChem CID119151975
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-[(3-methoxy-2,2,3-trimethylcyclobutyl)-methylamino]propanoic acid
SMILESCOC1(C)CC(N(C)CCC(=O)O)C1(C)C
InChIInChI=1S/C12H23NO3/c1-11(2)9(8-12(11,3)16-5)13(4)7-6-10(14)15/h9H,6-8H2,1-5H3,(H,14,15)
InChIKeyMAFQHFLBEUGJHR-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-2,2,3-trimethylcyclobutyl)-methylamino]propanoic acid?
The IUPAC name of 3-[(3-methoxy-2,2,3-trimethylcyclobutyl)-methylamino]propanoic acid (CID 119151975) is 3-[(3-methoxy-2,2,3-trimethylcyclobutyl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(3-methoxy-2,2,3-trimethylcyclobutyl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(3-methoxy-2,2,3-trimethylcyclobutyl)-methylamino]propanoic acid is COC1(C)CC(N(C)CCC(=O)O)C1(C)C.
What is the InChIKey of 3-[(3-methoxy-2,2,3-trimethylcyclobutyl)-methylamino]propanoic acid?
The InChIKey is MAFQHFLBEUGJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2)9(8-12(11,3)16-5)13(4)7-6-10(14)15/h9H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 3-[(3-methoxy-2,2,3-trimethylcyclobutyl)-methylamino]propanoic acid?
3-[(3-methoxy-2,2,3-trimethylcyclobutyl)-methylamino]propanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-2,2,3-trimethylcyclobutyl)-methylamino]propanoic acid is sourced from PubChem (CID 119151975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).