2-butoxyethyl (2R)-2-amino-3-methylbutanoate

C11H23NO3 — CID 79009790

IUPAC2-butoxyethyl (2R)-2-amino-3-methylbutanoate
SMILESCCCCOCCOC(=O)[C@H](N)C(C)C
InChIInChI=1S/C11H23NO3/c1-4-5-6-14-7-8-15-11(13)10(12)9(2)3/h9-10H,4-8,12H2,1-3H3/t10-/m1/s1
InChIKeyKUPGZNMGKNESND-SNVBAGLBSA-N
MW217.31 g/mol
LogP1.33
Rot. Bonds8

About 2-butoxyethyl (2R)-2-amino-3-methylbutanoate

2-butoxyethyl (2R)-2-amino-3-methylbutanoate (PubChem CID 79009790) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-butoxyethyl (2R)-2-amino-3-methylbutanoate.

Molecular Properties

Compound Name2-butoxyethyl (2R)-2-amino-3-methylbutanoate
PubChem CID79009790
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-butoxyethyl (2R)-2-amino-3-methylbutanoate
SMILESCCCCOCCOC(=O)[C@H](N)C(C)C
InChIInChI=1S/C11H23NO3/c1-4-5-6-14-7-8-15-11(13)10(12)9(2)3/h9-10H,4-8,12H2,1-3H3/t10-/m1/s1
InChIKeyKUPGZNMGKNESND-SNVBAGLBSA-N
XLogP1.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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'}

Analyze 2-butoxyethyl (2R)-2-amino-3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pentyl (2S)-2-amino-3-methylbutanoate
CID 61302518
2-ethoxyethyl 2-amino-3-methylbutanoate
CID 61276999
dodecyl 2-amino-3-methylbutanoate
CID 6453804
2-butoxyethyl 3-methyl-2-sulfanylbutanoate
CID 107018535
2-butoxyethyl 3-chloro-2-methylpropanoate
CID 175064019
2-hexoxyethyl 2-aminopropanoate;hydrochloride
CID 74957486
2-butoxyethyl (2R)-2-amino-3-sulfanylpropanoate
CID 107774143
2-butoxyethyl 2-(methylamino)propanoate
CID 62638365
bis[2-(2-butoxyethoxy)ethyl] oxalate
CID 3521781
2-propoxyethyl 2-amino-3-methylpentanoate
CID 63684873
bis[2-(2-butoxyethoxy)ethyl] 2-butylpropanedioate
CID 101278845
2-hexoxyethyl 2-methylpropanoate
CID 88618751

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl (2R)-2-amino-3-methylbutanoate?
The IUPAC name of 2-butoxyethyl (2R)-2-amino-3-methylbutanoate (CID 79009790) is 2-butoxyethyl (2R)-2-amino-3-methylbutanoate.
What is the SMILES notation for 2-butoxyethyl (2R)-2-amino-3-methylbutanoate?
The canonical SMILES for 2-butoxyethyl (2R)-2-amino-3-methylbutanoate is CCCCOCCOC(=O)[C@H](N)C(C)C.
What is the InChIKey of 2-butoxyethyl (2R)-2-amino-3-methylbutanoate?
The InChIKey is KUPGZNMGKNESND-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-5-6-14-7-8-15-11(13)10(12)9(2)3/h9-10H,4-8,12H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-butoxyethyl (2R)-2-amino-3-methylbutanoate?
2-butoxyethyl (2R)-2-amino-3-methylbutanoate has a molecular weight of 217.31 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl (2R)-2-amino-3-methylbutanoate is sourced from PubChem (CID 79009790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).