methyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate

C15H30N2O2 — CID 79480101

IUPACmethyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate
SMILESCCC(C)CN(CC)CC(NC)(C(=O)OC)C1CC1
InChIInChI=1S/C15H30N2O2/c1-6-12(3)10-17(7-2)11-15(16-4,13-8-9-13)14(18)19-5/h12-13,16H,6-11H2,1-5H3
InChIKeyRRFCEJLTMLUBNE-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.90
Rot. Bonds9

About methyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate

methyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate (PubChem CID 79480101) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate
PubChem CID79480101
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate
SMILESCCC(C)CN(CC)CC(NC)(C(=O)OC)C1CC1
InChIInChI=1S/C15H30N2O2/c1-6-12(3)10-17(7-2)11-15(16-4,13-8-9-13)14(18)19-5/h12-13,16H,6-11H2,1-5H3
InChIKeyRRFCEJLTMLUBNE-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(propan-2-ylamino)propanamide
CID 79480286
methyl 2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]-2-(methylamino)propanoate
CID 63910940
methyl 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
CID 63910377
methyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate
CID 63910948
ethyl 2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(2-methylpropyl)amino]propanoate
CID 63906222
methyl 3-[butan-2-yl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanoate
CID 63908711
methyl 2-amino-2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]propanoate
CID 63910171
methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate
CID 63915905
methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate
CID 63905526
methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate
CID 81061750
2-amino-2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]propan-1-ol
CID 79469873
methyl 2-cyclopropyl-2-(methylamino)-3-pentan-2-yloxypropanoate
CID 102984337

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate?
The IUPAC name of methyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate (CID 79480101) is methyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate.
What is the SMILES notation for methyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate?
The canonical SMILES for methyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate is CCC(C)CN(CC)CC(NC)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate?
The InChIKey is RRFCEJLTMLUBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-12(3)10-17(7-2)11-15(16-4,13-8-9-13)14(18)19-5/h12-13,16H,6-11H2,1-5H3.
What are the key properties of methyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate?
methyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate has a molecular weight of 270.42 g/mol, XLogP of 1.90, 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-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate is sourced from PubChem (CID 79480101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).