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

C14H28N2O2 — CID 63908426

IUPACethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
SMILESCCCCN(C)CC(NC)(C(=O)OCC)C1CC1
InChIInChI=1S/C14H28N2O2/c1-5-7-10-16(4)11-14(15-3,12-8-9-12)13(17)18-6-2/h12,15H,5-11H2,1-4H3
InChIKeyPGOLRIIAUVRAPE-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds9

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

ethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate (PubChem CID 63908426) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
PubChem CID63908426
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
SMILESCCCCN(C)CC(NC)(C(=O)OCC)C1CC1
InChIInChI=1S/C14H28N2O2/c1-5-7-10-16(4)11-14(15-3,12-8-9-12)13(17)18-6-2/h12,15H,5-11H2,1-4H3
InChIKeyPGOLRIIAUVRAPE-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(methylamino)propanoate
CID 63909006
ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propanoate
CID 63928058
ethyl 2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propanoate
CID 63909390
methyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(methylamino)propanoate
CID 81061750
2-cyclopropyl-2-(methylamino)-3-[methyl(propyl)amino]propanamide
CID 63906423
ethyl 2-cyclopropyl-2-(methylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanoate
CID 63909180
ethyl 2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(methylamino)propanoate
CID 63909341
ethyl 2-cyclopropyl-3-[2-ethoxyethyl(methyl)amino]-2-(propylamino)propanoate
CID 81043973
ethyl 2-cyclopropyl-3-heptoxy-2-(methylamino)propanoate
CID 63921121
methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate
CID 63907793
ethyl 2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(propylamino)propanoate
CID 63911759
ethyl 2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]-2-(methylamino)propanoate
CID 63915479

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate?
The IUPAC name of ethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate (CID 63908426) is ethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate.
What is the SMILES notation for ethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate?
The canonical SMILES for ethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate is CCCCN(C)CC(NC)(C(=O)OCC)C1CC1.
What is the InChIKey of ethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate?
The InChIKey is PGOLRIIAUVRAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-7-10-16(4)11-14(15-3,12-8-9-12)13(17)18-6-2/h12,15H,5-11H2,1-4H3.
What are the key properties of ethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate?
ethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[butyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanoate is sourced from PubChem (CID 63908426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).