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

C15H30N2O2 — CID 63910171

IUPACmethyl 2-amino-2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]propanoate
SMILESCCC(CC)CN(CC)CC(N)(C(=O)OC)C1CC1
InChIInChI=1S/C15H30N2O2/c1-5-12(6-2)10-17(7-3)11-15(16,13-8-9-13)14(18)19-4/h12-13H,5-11,16H2,1-4H3
InChIKeyRIQWAQHXQOTBQG-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.03
Rot. Bonds9

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

methyl 2-amino-2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]propanoate (PubChem CID 63910171) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 2-amino-2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]propanoate
PubChem CID63910171
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 2-amino-2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]propanoate
SMILESCCC(CC)CN(CC)CC(N)(C(=O)OC)C1CC1
InChIInChI=1S/C15H30N2O2/c1-5-12(6-2)10-17(7-3)11-15(16,13-8-9-13)14(18)19-4/h12-13H,5-11,16H2,1-4H3
InChIKeyRIQWAQHXQOTBQG-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 63910738
methyl 2-amino-3-[butyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63906980
methyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate
CID 103190963
methyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-propylamino]propanoate
CID 63921401
methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63911302
methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate
CID 63916861
2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]-2-(propylamino)propanamide
CID 63910757
2-amino-2-cyclopropyl-3-(diethylamino)propanoic acid
CID 63907227
methyl 2-amino-3-[butyl(methyl)amino]-2-cyclopropylpropanoate
CID 63907793
methyl 2-cyclopropyl-3-[ethyl(2-methylbutyl)amino]-2-(methylamino)propanoate
CID 79480101
ethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate
CID 63911135
2-amino-2-cyclopropyl-3-[ethyl(propyl)amino]propanamide
CID 63910109

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]propanoate?
The IUPAC name of methyl 2-amino-2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]propanoate (CID 63910171) is methyl 2-amino-2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]propanoate.
What is the SMILES notation for methyl 2-amino-2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]propanoate?
The canonical SMILES for methyl 2-amino-2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]propanoate is CCC(CC)CN(CC)CC(N)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-amino-2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]propanoate?
The InChIKey is RIQWAQHXQOTBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-12(6-2)10-17(7-3)11-15(16,13-8-9-13)14(18)19-4/h12-13H,5-11,16H2,1-4H3.
What are the key properties of methyl 2-amino-2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]propanoate?
methyl 2-amino-2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]propanoate has a molecular weight of 270.42 g/mol, XLogP of 2.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-cyclopropyl-3-[ethyl(2-ethylbutyl)amino]propanoate is sourced from PubChem (CID 63910171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).