ethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate

C11H23NO4 — CID 63038922

IUPACethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate
SMILESCCOC(=O)C(N)CCOCCOC(C)C
InChIInChI=1S/C11H23NO4/c1-4-15-11(13)10(12)5-6-14-7-8-16-9(2)3/h9-10H,4-8,12H2,1-3H3
InChIKeyHXCFUFAOWBSDIQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.71
Rot. Bonds9

About ethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate

ethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate (PubChem CID 63038922) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate
PubChem CID63038922
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Nameethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate
SMILESCCOC(=O)C(N)CCOCCOC(C)C
InChIInChI=1S/C11H23NO4/c1-4-15-11(13)10(12)5-6-14-7-8-16-9(2)3/h9-10H,4-8,12H2,1-3H3
InChIKeyHXCFUFAOWBSDIQ-UHFFFAOYSA-N
XLogP0.71
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.71
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

ethyl 2-amino-4-[2-(2-butoxyethoxy)ethoxy]butanoate
CID 104563527
ethyl (2S)-2-amino-4-ethoxybutanoate
CID 22839428
2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid
CID 63072762
ethyl (2S)-2-amino-3-propan-2-yloxypropanoate
CID 94053176
ethyl 2-(2-propan-2-yloxyethoxy)acetate
CID 43119673
ethyl 2-amino-4-(3-methoxy-3-methylbutoxy)butanoate
CID 106666825
ethyl 2-amino-4-(2-phenoxyethoxy)butanoate
CID 63039473
methyl (2S)-2-amino-4-propan-2-yloxybutanoate
CID 94979693
methyl (2R)-2-amino-4-propan-2-yloxybutanoate
CID 94979694
ethyl (2R)-2-methyl-4-propan-2-yloxybutanoate
CID 134571182
2-(propan-2-ylamino)-4-(2-propan-2-yloxyethoxy)butanamide
CID 55144921
2-[2-(2-propan-2-yloxyethoxy)ethoxy]propane;1-[2-(2-propoxyethoxy)ethoxy]propane
CID 162194347

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate?
The IUPAC name of ethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate (CID 63038922) is ethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate.
What is the SMILES notation for ethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate?
The canonical SMILES for ethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate is CCOC(=O)C(N)CCOCCOC(C)C.
What is the InChIKey of ethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate?
The InChIKey is HXCFUFAOWBSDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-4-15-11(13)10(12)5-6-14-7-8-16-9(2)3/h9-10H,4-8,12H2,1-3H3.
What are the key properties of ethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate?
ethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate has a molecular weight of 233.31 g/mol, XLogP of 0.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2-propan-2-yloxyethoxy)butanoate is sourced from PubChem (CID 63038922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).