methyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate

C15H30N2O3 — CID 81061381

IUPACmethyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate
SMILESCCOCCN(C)CCCC(C)(NC1CC1)C(=O)OC
InChIInChI=1S/C15H30N2O3/c1-5-20-12-11-17(3)10-6-9-15(2,14(18)19-4)16-13-7-8-13/h13,16H,5-12H2,1-4H3
InChIKeyKAZFOSTVTUPLOX-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.42
Rot. Bonds11

About methyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate

methyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate (PubChem CID 81061381) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate
PubChem CID81061381
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Namemethyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate
SMILESCCOCCN(C)CCCC(C)(NC1CC1)C(=O)OC
InChIInChI=1S/C15H30N2O3/c1-5-20-12-11-17(3)10-6-9-15(2,14(18)19-4)16-13-7-8-13/h13,16H,5-12H2,1-4H3
InChIKeyKAZFOSTVTUPLOX-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(cyclopropylamino)-2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]pentanoate
CID 63864868
methyl 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanoate
CID 62861406
methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate
CID 55226592
methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate
CID 103404585
2-(cyclopropylamino)-6-[2-ethoxyethyl(ethyl)amino]-2-methylhexanoic acid
CID 63691583
methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666818
ethyl 6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexanoate
CID 81043545
methyl 2-(cyclopropylamino)-2-methyl-5-(oxan-4-ylmethoxy)pentanoate
CID 62385441
3-[2-ethoxyethyl(methyl)amino]propanoic acid
CID 60988072
ethyl 2-(cyclopropylamino)-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanoate
CID 82734670
2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-methylpropanoic acid
CID 55141472
2-(cyclopropylamino)-2-ethyl-5-[3-methoxypropyl(methyl)amino]pentanoic acid
CID 106806182

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate (CID 81061381) is methyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate is CCOCCN(C)CCCC(C)(NC1CC1)C(=O)OC.
What is the InChIKey of methyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate?
The InChIKey is KAZFOSTVTUPLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-20-12-11-17(3)10-6-9-15(2,14(18)19-4)16-13-7-8-13/h13,16H,5-12H2,1-4H3.
What are the key properties of methyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate?
methyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate has a molecular weight of 286.42 g/mol, XLogP of 1.42, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-5-[2-ethoxyethyl(methyl)amino]-2-methylpentanoate is sourced from PubChem (CID 81061381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).