methyl 2-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]acetate

C10H20N2O3 — CID 62853991

IUPACmethyl 2-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]acetate
SMILESCCNCC(C)C(=O)N(C)CC(=O)OC
InChIInChI=1S/C10H20N2O3/c1-5-11-6-8(2)10(14)12(3)7-9(13)15-4/h8,11H,5-7H2,1-4H3
InChIKeyAQPLFIAJQOYEBH-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.14
Rot. Bonds6

About methyl 2-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]acetate

methyl 2-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]acetate (PubChem CID 62853991) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]acetate
PubChem CID62853991
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 2-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]acetate
SMILESCCNCC(C)C(=O)N(C)CC(=O)OC
InChIInChI=1S/C10H20N2O3/c1-5-11-6-8(2)10(14)12(3)7-9(13)15-4/h8,11H,5-7H2,1-4H3
InChIKeyAQPLFIAJQOYEBH-UHFFFAOYSA-N
XLogP-0.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-bromobutanoyl(methyl)amino]acetate
CID 62856810
3-(ethylamino)-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 62852033
methyl 3-(ethylamino)-2-methylpropanoate
CID 3889298
methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate
CID 104903114
methyl 2-[3-(ethylamino)butanoyl-methylamino]acetate
CID 62839405
2-[butan-2-yl-[3-(ethylamino)-2-methylpropanoyl]amino]acetic acid
CID 62838561
methyl 2-[methyl(propanoyl)amino]acetate
CID 43407357
3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide
CID 62853402
ethane;methyl 2-[(2-amino-3,3-dimethylbutanoyl)-methylamino]acetate;propane
CID 143023750
(2S)-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307482
methyl 2-[methyl(2-phenylpropanoyl)amino]acetate
CID 104916610
3-(ethylamino)-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpropanamide
CID 62853456

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]acetate (CID 62853991) is methyl 2-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]acetate is CCNCC(C)C(=O)N(C)CC(=O)OC.
What is the InChIKey of methyl 2-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]acetate?
The InChIKey is AQPLFIAJQOYEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-11-6-8(2)10(14)12(3)7-9(13)15-4/h8,11H,5-7H2,1-4H3.
What are the key properties of methyl 2-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]acetate?
methyl 2-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]acetate has a molecular weight of 216.28 g/mol, XLogP of -0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(ethylamino)-2-methylpropanoyl]-methylamino]acetate is sourced from PubChem (CID 62853991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).