2-propoxyethyl 2-amino-3,3-dimethylbutanoate

C11H23NO3 — CID 63687085

IUPAC2-propoxyethyl 2-amino-3,3-dimethylbutanoate
SMILESCCCOCCOC(=O)C(N)C(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-6-14-7-8-15-10(13)9(12)11(2,3)4/h9H,5-8,12H2,1-4H3
InChIKeyXLZRMMSVRFAGTG-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.33
Rot. Bonds6

About 2-propoxyethyl 2-amino-3,3-dimethylbutanoate

2-propoxyethyl 2-amino-3,3-dimethylbutanoate (PubChem CID 63687085) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-propoxyethyl 2-amino-3,3-dimethylbutanoate.

Molecular Properties

Compound Name2-propoxyethyl 2-amino-3,3-dimethylbutanoate
PubChem CID63687085
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-propoxyethyl 2-amino-3,3-dimethylbutanoate
SMILESCCCOCCOC(=O)C(N)C(C)(C)C
InChIInChI=1S/C11H23NO3/c1-5-6-14-7-8-15-10(13)9(12)11(2,3)4/h9H,5-8,12H2,1-4H3
InChIKeyXLZRMMSVRFAGTG-UHFFFAOYSA-N
XLogP1.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate
CID 106448215
2-(3-methoxypropoxy)ethyl (2S)-2-amino-3,3-dimethylbutanoate
CID 103178228
2-propoxyethyl 2-amino-3-hydroxypropanoate
CID 63685229
3,3-dimethylbutyl (2S)-2-amino-3,3-dimethylbutanoate
CID 66226213
2-propoxyethyl 2-amino-3-methylpentanoate
CID 63684873
2-propoxyethyl 2-amino-4-methylpentanoate
CID 63685602
2-[2-(2-propoxyethoxy)ethoxy]ethyl carbamate
CID 177163981
but-3-enyl 2-amino-3,3-dimethylbutanoate
CID 76657917
2-[2-(2-propoxyethoxy)ethoxy]ethyl propanoate
CID 87832523
2-butoxyethyl (2R)-2-amino-3-methylbutanoate
CID 79009790
2-propoxyethyl 2-(ethylamino)-2-methylpropanoate
CID 63687075
2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide
CID 115750966

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 2-amino-3,3-dimethylbutanoate?
The IUPAC name of 2-propoxyethyl 2-amino-3,3-dimethylbutanoate (CID 63687085) is 2-propoxyethyl 2-amino-3,3-dimethylbutanoate.
What is the SMILES notation for 2-propoxyethyl 2-amino-3,3-dimethylbutanoate?
The canonical SMILES for 2-propoxyethyl 2-amino-3,3-dimethylbutanoate is CCCOCCOC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-propoxyethyl 2-amino-3,3-dimethylbutanoate?
The InChIKey is XLZRMMSVRFAGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-6-14-7-8-15-10(13)9(12)11(2,3)4/h9H,5-8,12H2,1-4H3.
What are the key properties of 2-propoxyethyl 2-amino-3,3-dimethylbutanoate?
2-propoxyethyl 2-amino-3,3-dimethylbutanoate has a molecular weight of 217.31 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 2-amino-3,3-dimethylbutanoate is sourced from PubChem (CID 63687085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).