methyl 3-(ethylamino)-2-methylpropanoate

C7H15NO2 — CID 3889298

IUPACmethyl 3-(ethylamino)-2-methylpropanoate
SMILESCCNCC(C)C(=O)OC
InChIInChI=1S/C7H15NO2/c1-4-8-5-6(2)7(9)10-3/h6,8H,4-5H2,1-3H3
InChIKeyZMGSTHPWYHINIC-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.41
Rot. Bonds4

About methyl 3-(ethylamino)-2-methylpropanoate

methyl 3-(ethylamino)-2-methylpropanoate (PubChem CID 3889298) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is methyl 3-(ethylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(ethylamino)-2-methylpropanoate
PubChem CID3889298
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namemethyl 3-(ethylamino)-2-methylpropanoate
SMILESCCNCC(C)C(=O)OC
InChIInChI=1S/C7H15NO2/c1-4-8-5-6(2)7(9)10-3/h6,8H,4-5H2,1-3H3
InChIKeyZMGSTHPWYHINIC-UHFFFAOYSA-N
XLogP0.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethoxy-3-(ethylamino)-2-methylpropanamide
CID 64974607
methyl 3-[[2-(ethylamino)-2-oxoethyl]amino]-2-methylpropanoate
CID 43566979
methyl 3-(methoxyamino)-2-methylpropanoate
CID 60702587
3-(ethylamino)-2-methylpropanamide
CID 43311981
methyl 3-(2-hydroxyethylamino)-2-methylpropanoate
CID 43398406
methyl (2S)-3-[2-(dimethylamino)ethylamino]-2-methylpropanoate
CID 93035177
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide
CID 62853402
methyl 2-methyl-3-(5-methylhexylamino)propanoate
CID 115325726
methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate
CID 129354214
methyl 3-[(5-amino-5-oxopentyl)amino]-2-methylpropanoate
CID 106237219
methyl 2-methyl-3-(2-methylpentan-3-ylamino)propanoate
CID 61469517

Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethylamino)-2-methylpropanoate?
The IUPAC name of methyl 3-(ethylamino)-2-methylpropanoate (CID 3889298) is methyl 3-(ethylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(ethylamino)-2-methylpropanoate?
The canonical SMILES for methyl 3-(ethylamino)-2-methylpropanoate is CCNCC(C)C(=O)OC.
What is the InChIKey of methyl 3-(ethylamino)-2-methylpropanoate?
The InChIKey is ZMGSTHPWYHINIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-8-5-6(2)7(9)10-3/h6,8H,4-5H2,1-3H3.
What are the key properties of methyl 3-(ethylamino)-2-methylpropanoate?
methyl 3-(ethylamino)-2-methylpropanoate has a molecular weight of 145.20 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethylamino)-2-methylpropanoate is sourced from PubChem (CID 3889298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).