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

C15H30N2O2 — CID 63908711

IUPACmethyl 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanoate
SMILESCCC(C)N(C)CC(NC(C)C)(C(=O)OC)C1CC1
InChIInChI=1S/C15H30N2O2/c1-7-12(4)17(5)10-15(13-8-9-13,14(18)19-6)16-11(2)3/h11-13,16H,7-10H2,1-6H3
InChIKeyOWINAFRFMWDJBR-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds8

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

methyl 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanoate (PubChem CID 63908711) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanoate
PubChem CID63908711
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanoate
SMILESCCC(C)N(C)CC(NC(C)C)(C(=O)OC)C1CC1
InChIInChI=1S/C15H30N2O2/c1-7-12(4)17(5)10-15(13-8-9-13,14(18)19-6)16-11(2)3/h11-13,16H,7-10H2,1-6H3
InChIKeyOWINAFRFMWDJBR-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanoate with MolForge

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Related Compounds

methyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate
CID 63911706
ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)propanoate
CID 63909152
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 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
CID 63910377
methyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate
CID 79480101
methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate
CID 63906010
methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate
CID 60786156
methyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate
CID 63910940
methyl 2-cyclopropyl-3-(2-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 63907850
ethyl 2-cyclopropyl-2-(ethylamino)-3-[methyl(pentan-2-yl)amino]propanoate
CID 63911708

Frequently Asked Questions

What is the IUPAC name of methyl 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanoate?
The IUPAC name of methyl 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanoate (CID 63908711) is methyl 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanoate.
What is the SMILES notation for methyl 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanoate?
The canonical SMILES for methyl 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanoate is CCC(C)N(C)CC(NC(C)C)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanoate?
The InChIKey is OWINAFRFMWDJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-7-12(4)17(5)10-15(13-8-9-13,14(18)19-6)16-11(2)3/h11-13,16H,7-10H2,1-6H3.
What are the key properties of methyl 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanoate?
methyl 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanoate has a molecular weight of 270.42 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanoate is sourced from PubChem (CID 63908711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).