2-cyclopropyl-2-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid

C16H32N2O2 — CID 79483169

IUPAC2-cyclopropyl-2-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid
SMILESCCC(CC)N(CC(C)C)CC(NC)(C(=O)O)C1CC1
InChIInChI=1S/C16H32N2O2/c1-6-14(7-2)18(10-12(3)4)11-16(17-5,15(19)20)13-8-9-13/h12-14,17H,6-11H2,1-5H3,(H,19,20)
InChIKeyMDQOHJCOLHIVIG-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.59
Rot. Bonds10

About 2-cyclopropyl-2-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid

2-cyclopropyl-2-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid (PubChem CID 79483169) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid
PubChem CID79483169
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-cyclopropyl-2-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid
SMILESCCC(CC)N(CC(C)C)CC(NC)(C(=O)O)C1CC1
InChIInChI=1S/C16H32N2O2/c1-6-14(7-2)18(10-12(3)4)11-16(17-5,15(19)20)13-8-9-13/h12-14,17H,6-11H2,1-5H3,(H,19,20)
InChIKeyMDQOHJCOLHIVIG-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid (CID 79483169) is 2-cyclopropyl-2-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid is CCC(CC)N(CC(C)C)CC(NC)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid?
The InChIKey is MDQOHJCOLHIVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-14(7-2)18(10-12(3)4)11-16(17-5,15(19)20)13-8-9-13/h12-14,17H,6-11H2,1-5H3,(H,19,20).
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid?
2-cyclopropyl-2-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.59, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]propanoic acid is sourced from PubChem (CID 79483169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).