2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate

C10H21NO4 — CID 107837699

IUPAC2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate
SMILESCC(C)COCCOC(=O)C(O)CCN
InChIInChI=1S/C10H21NO4/c1-8(2)7-14-5-6-15-10(13)9(12)3-4-11/h8-9,12H,3-7,11H2,1-2H3
InChIKeyFXYSWFAZSHXXTF-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.09
Rot. Bonds8

About 2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate

2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate (PubChem CID 107837699) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate.

Molecular Properties

Compound Name2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate
PubChem CID107837699
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate
SMILESCC(C)COCCOC(=O)C(O)CCN
InChIInChI=1S/C10H21NO4/c1-8(2)7-14-5-6-15-10(13)9(12)3-4-11/h8-9,12H,3-7,11H2,1-2H3
InChIKeyFXYSWFAZSHXXTF-UHFFFAOYSA-N
XLogP-0.09
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylpropoxy)ethyl (2S)-3-amino-2-hydroxypropanoate
CID 107837701
2-(2-methylpropoxy)ethyl acetate
CID 520944
4-amino-2-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106450669
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428226
2-(2-methylpropoxy)ethyl (2R)-2-amino-3,3-dimethylbutanoate
CID 106448215
2-(2-methylpropoxy)ethyl 4-(2-aminoethyl)-5,5-dimethylhexanoate
CID 106448205
butyl 4-amino-2-hydroxybutanoate
CID 107837486
2-methylpentyl 4-amino-2-hydroxybutanoate
CID 107837690
2-(2-methylpropoxy)ethyl N-(2-aminoethyl)carbamate;hydroiodide
CID 173355847
2-(2-methylpropoxy)ethyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 106447956
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid
CID 175405425
2-(2-methylpropoxy)ethyl 3-(aminomethyl)pentanoate
CID 106447989

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate?
The IUPAC name of 2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate (CID 107837699) is 2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate.
What is the SMILES notation for 2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate?
The canonical SMILES for 2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate is CC(C)COCCOC(=O)C(O)CCN.
What is the InChIKey of 2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate?
The InChIKey is FXYSWFAZSHXXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-8(2)7-14-5-6-15-10(13)9(12)3-4-11/h8-9,12H,3-7,11H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate?
2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate has a molecular weight of 219.28 g/mol, XLogP of -0.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)ethyl 4-amino-2-hydroxybutanoate is sourced from PubChem (CID 107837699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).