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

C13H24N2O3 — CID 82743702

IUPAC2-(cyclopropylamino)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
SMILESCC1OCCC1N(C)CC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9-11(6-7-18-9)15(3)8-13(2,12(16)17)14-10-4-5-10/h9-11,14H,4-8H2,1-3H3,(H,16,17)
InChIKeyJJMPPHRUCDIQPE-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.69
Rot. Bonds6

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

2-(cyclopropylamino)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid (PubChem CID 82743702) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
PubChem CID82743702
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-(cyclopropylamino)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
SMILESCC1OCCC1N(C)CC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-9-11(6-7-18-9)15(3)8-13(2,12(16)17)14-10-4-5-10/h9-11,14H,4-8H2,1-3H3,(H,16,17)
InChIKeyJJMPPHRUCDIQPE-UHFFFAOYSA-N
XLogP0.69
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid (CID 82743702) is 2-(cyclopropylamino)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid is CC1OCCC1N(C)CC(C)(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid?
The InChIKey is JJMPPHRUCDIQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9-11(6-7-18-9)15(3)8-13(2,12(16)17)14-10-4-5-10/h9-11,14H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 2-(cyclopropylamino)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid?
2-(cyclopropylamino)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid is sourced from PubChem (CID 82743702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).