methyl 2-(ethylamino)-4-methoxybutanoate

C8H17NO3 — CID 63041387

IUPACmethyl 2-(ethylamino)-4-methoxybutanoate
SMILESCCNC(CCOC)C(=O)OC
InChIInChI=1S/C8H17NO3/c1-4-9-7(5-6-11-2)8(10)12-3/h7,9H,4-6H2,1-3H3
InChIKeyDBYOQCLAUYPUOX-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.17
Rot. Bonds6

About methyl 2-(ethylamino)-4-methoxybutanoate

methyl 2-(ethylamino)-4-methoxybutanoate (PubChem CID 63041387) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is methyl 2-(ethylamino)-4-methoxybutanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-4-methoxybutanoate
PubChem CID63041387
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namemethyl 2-(ethylamino)-4-methoxybutanoate
SMILESCCNC(CCOC)C(=O)OC
InChIInChI=1S/C8H17NO3/c1-4-9-7(5-6-11-2)8(10)12-3/h7,9H,4-6H2,1-3H3
InChIKeyDBYOQCLAUYPUOX-UHFFFAOYSA-N
XLogP0.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(ethylamino)-4-methoxybutanoate
CID 63041386
2-(ethylamino)-4-(2-methoxyethoxy)butanamide
CID 63041176
methyl 2-(ethylamino)-4-(4-methylpentoxy)butanoate
CID 63041531
methyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate
CID 63040990
methyl 4-cyclobutyloxy-2-(ethylamino)butanoate
CID 63033180
methyl 4-methoxy-2-(propan-2-ylamino)butanoate
CID 63038753
methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate
CID 63033883
methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate
CID 106204341
methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate
CID 63040222
methyl 2-(ethylamino)-4-(4-ethylphenoxy)butanoate
CID 63039162
methyl 4-(3,5-difluorophenoxy)-2-(ethylamino)butanoate
CID 63033189
methyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 55143393

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-4-methoxybutanoate?
The IUPAC name of methyl 2-(ethylamino)-4-methoxybutanoate (CID 63041387) is methyl 2-(ethylamino)-4-methoxybutanoate.
What is the SMILES notation for methyl 2-(ethylamino)-4-methoxybutanoate?
The canonical SMILES for methyl 2-(ethylamino)-4-methoxybutanoate is CCNC(CCOC)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-4-methoxybutanoate?
The InChIKey is DBYOQCLAUYPUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4-9-7(5-6-11-2)8(10)12-3/h7,9H,4-6H2,1-3H3.
What are the key properties of methyl 2-(ethylamino)-4-methoxybutanoate?
methyl 2-(ethylamino)-4-methoxybutanoate has a molecular weight of 175.23 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-4-methoxybutanoate is sourced from PubChem (CID 63041387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).