methyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate

C16H32N2O2 — CID 63911706

IUPACmethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate
SMILESCCCC(C)N(C)CC(NC(C)C)(C(=O)OC)C1CC1
InChIInChI=1S/C16H32N2O2/c1-7-8-13(4)18(5)11-16(14-9-10-14,15(19)20-6)17-12(2)3/h12-14,17H,7-11H2,1-6H3
InChIKeyQQSHAAQXPGEISR-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.43
Rot. Bonds9

About methyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate

methyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate (PubChem CID 63911706) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate
PubChem CID63911706
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Namemethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate
SMILESCCCC(C)N(C)CC(NC(C)C)(C(=O)OC)C1CC1
InChIInChI=1S/C16H32N2O2/c1-7-8-13(4)18(5)11-16(14-9-10-14,15(19)20-6)17-12(2)3/h12-14,17H,7-11H2,1-6H3
InChIKeyQQSHAAQXPGEISR-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate
CID 63909152
methyl 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanoate
CID 63908711
ethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propanoate
CID 63911708
ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate
CID 63911314
methyl 2-cyclopropyl-3-[(2-methylpropan-2-yl)oxy]-2-(propan-2-ylamino)propanoate
CID 63921517
methyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)propanoate
CID 63919161
methyl 2-cyclopropyl-3-(2,6-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 63908288
methyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate
CID 102984337
methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate
CID 63906010
methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate
CID 60786156
2-cyclopropyl-3-[1-methoxypropan-2-yl(methyl)amino]-2-(propylamino)propanoic acid
CID 63910353
methyl 2-cyclopropyl-2-(ethylamino)-3-pentan-2-yloxypropanoate
CID 102984449

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate (CID 63911706) is methyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate is CCCC(C)N(C)CC(NC(C)C)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate?
The InChIKey is QQSHAAQXPGEISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-7-8-13(4)18(5)11-16(14-9-10-14,15(19)20-6)17-12(2)3/h12-14,17H,7-11H2,1-6H3.
What are the key properties of methyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate?
methyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate has a molecular weight of 284.44 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 63911706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).