methyl 2-(ethylamino)-2-methylpentanoate

C9H19NO2 — CID 60788198

IUPACmethyl 2-(ethylamino)-2-methylpentanoate
SMILESCCCC(C)(NCC)C(=O)OC
InChIInChI=1S/C9H19NO2/c1-5-7-9(3,10-6-2)8(11)12-4/h10H,5-7H2,1-4H3
InChIKeyDZKBUCCGPLIBCK-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.33
Rot. Bonds5

About methyl 2-(ethylamino)-2-methylpentanoate

methyl 2-(ethylamino)-2-methylpentanoate (PubChem CID 60788198) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-methylpentanoate
PubChem CID60788198
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namemethyl 2-(ethylamino)-2-methylpentanoate
SMILESCCCC(C)(NCC)C(=O)OC
InChIInChI=1S/C9H19NO2/c1-5-7-9(3,10-6-2)8(11)12-4/h10H,5-7H2,1-4H3
InChIKeyDZKBUCCGPLIBCK-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(hydroxyamino)-2-methylpentanoate
CID 131859710
methyl 2-(ethylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666755
methyl 2-(ethylamino)-2-propylpentanoate
CID 60787868
methyl 2-(ethylamino)-2-methyl-4-(2-methylpentoxy)butanoate
CID 103284956
methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate
CID 103021738
methyl 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoate
CID 103179847
methyl 2-(ethylamino)-2-methyl-6-(4,4,4-trifluorobutoxy)hexanoate
CID 82783283
methyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate
CID 102607468
methyl 2-methyl-2-(propylcarbamoylamino)pentanoate
CID 43624107
methyl 2-methyl-2-(propylamino)octanoate
CID 60796900
methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate
CID 43431441
methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate
CID 66275923

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-methylpentanoate?
The IUPAC name of methyl 2-(ethylamino)-2-methylpentanoate (CID 60788198) is methyl 2-(ethylamino)-2-methylpentanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-methylpentanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-methylpentanoate is CCCC(C)(NCC)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-2-methylpentanoate?
The InChIKey is DZKBUCCGPLIBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-7-9(3,10-6-2)8(11)12-4/h10H,5-7H2,1-4H3.
What are the key properties of methyl 2-(ethylamino)-2-methylpentanoate?
methyl 2-(ethylamino)-2-methylpentanoate has a molecular weight of 173.26 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-2-methylpentanoate is sourced from PubChem (CID 60788198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).