methyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate

C12H25NO4 — CID 63040990

IUPACmethyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate
SMILESCCNC(CCOCCOC(C)C)C(=O)OC
InChIInChI=1S/C12H25NO4/c1-5-13-11(12(14)15-4)6-7-16-8-9-17-10(2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyTXDAMJRXAOIASE-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.97
Rot. Bonds10

About methyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate

methyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate (PubChem CID 63040990) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is methyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate
PubChem CID63040990
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Namemethyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate
SMILESCCNC(CCOCCOC(C)C)C(=O)OC
InChIInChI=1S/C12H25NO4/c1-5-13-11(12(14)15-4)6-7-16-8-9-17-10(2)3/h10-11,13H,5-9H2,1-4H3
InChIKeyTXDAMJRXAOIASE-UHFFFAOYSA-N
XLogP0.97
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.97
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-(ethylamino)-4-(4-methylpentoxy)butanoate
CID 63041531
methyl 2-(ethylamino)-4-methoxybutanoate
CID 63041387
methyl 4-(2-cyclopropylethoxy)-2-(ethylamino)butanoate
CID 106204341
2-(ethylamino)-4-(2-methoxyethoxy)butanamide
CID 63041176
ethyl 2-(ethylamino)-4-(2-propoxyethoxy)butanoate
CID 63686784
4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid
CID 55144727
2-(propan-2-ylamino)-4-(2-propan-2-yloxyethoxy)butanamide
CID 55144921
2-(ethylamino)-4-(2-propoxyethoxy)butanoic acid
CID 63685674
methyl 2-(ethylamino)-4-(3-phenylpropoxy)butanoate
CID 63034614
methyl 2-(4-propan-2-yloxybutylamino)hexanoate
CID 114136317
2-(ethylamino)-4-propoxybutanoic acid
CID 63034950
ethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate
CID 63038922

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate?
The IUPAC name of methyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate (CID 63040990) is methyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate.
What is the SMILES notation for methyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate?
The canonical SMILES for methyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate is CCNC(CCOCCOC(C)C)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate?
The InChIKey is TXDAMJRXAOIASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-5-13-11(12(14)15-4)6-7-16-8-9-17-10(2)3/h10-11,13H,5-9H2,1-4H3.
What are the key properties of methyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate?
methyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate has a molecular weight of 247.33 g/mol, XLogP of 0.97, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-4-(2-propan-2-yloxyethoxy)butanoate is sourced from PubChem (CID 63040990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).