methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate

C15H30N2O2 — CID 63905526

IUPACmethyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate
SMILESCCCCN(CC)CC(NCC)(C(=O)OC)C1CC1
InChIInChI=1S/C15H30N2O2/c1-5-8-11-17(7-3)12-15(16-6-2,13-9-10-13)14(18)19-4/h13,16H,5-12H2,1-4H3
InChIKeyDLCFZYRXXYECNL-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds10

About methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate

methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate (PubChem CID 63905526) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate
PubChem CID63905526
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate
SMILESCCCCN(CC)CC(NCC)(C(=O)OC)C1CC1
InChIInChI=1S/C15H30N2O2/c1-5-8-11-17(7-3)12-15(16-6-2,13-9-10-13)14(18)19-4/h13,16H,5-12H2,1-4H3
InChIKeyDLCFZYRXXYECNL-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
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

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Related Compounds

methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propanoate
CID 63906340
methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate
CID 63906010
methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63906980
methyl 2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propylamino)propanoate
CID 63956079
methyl 3-[butyl(cyclopropyl)amino]-2-cyclopropyl-2-(propylamino)propanoate
CID 63910356
2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)propanamide
CID 63925029
methyl 2-cyclopropyl-2-(cyclopropylamino)-3-(dipropylamino)propanoate
CID 63905808
methyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate
CID 63906606
3-[bis(2-methoxyethyl)amino]-2-cyclopropyl-2-(ethylamino)propanamide
CID 63911477
2-cyclopropyl-2-(ethylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 63910540
methyl 2-cyclopropyl-3-[cyclopropylmethyl(propyl)amino]-2-(methylamino)propanoate
CID 63910948
2-cyclopropyl-3-[ethyl(2-methoxyethyl)amino]-2-(propylamino)propanamide
CID 63911750

Frequently Asked Questions

What is the IUPAC name of methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate?
The IUPAC name of methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate (CID 63905526) is methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate.
What is the SMILES notation for methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate?
The canonical SMILES for methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate is CCCCN(CC)CC(NCC)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate?
The InChIKey is DLCFZYRXXYECNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-8-11-17(7-3)12-15(16-6-2,13-9-10-13)14(18)19-4/h13,16H,5-12H2,1-4H3.
What are the key properties of methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate?
methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate has a molecular weight of 270.42 g/mol, XLogP of 2.04, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[butyl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propanoate is sourced from PubChem (CID 63905526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).