3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid

C9H17NO3 — CID 82719112

IUPAC3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
SMILESCC1OCCC1N(C)CCC(=O)O
InChIInChI=1S/C9H17NO3/c1-7-8(4-6-13-7)10(2)5-3-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyURZHUFRRMYYKQL-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.57
Rot. Bonds4

About 3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid

3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid (PubChem CID 82719112) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
PubChem CID82719112
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
SMILESCC1OCCC1N(C)CCC(=O)O
InChIInChI=1S/C9H17NO3/c1-7-8(4-6-13-7)10(2)5-3-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyURZHUFRRMYYKQL-UHFFFAOYSA-N
XLogP0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid (CID 82719112) is 3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid is CC1OCCC1N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid?
The InChIKey is URZHUFRRMYYKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7-8(4-6-13-7)10(2)5-3-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid?
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid is sourced from PubChem (CID 82719112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).