2-butoxyethyl (2R)-2-amino-2-phenylacetate

C14H21NO3 — CID 61302671

IUPAC2-butoxyethyl (2R)-2-amino-2-phenylacetate
SMILESCCCCOCCOC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-2-3-9-17-10-11-18-14(16)13(15)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11,15H2,1H3/t13-/m1/s1
InChIKeyBTXCHVYNMGXEKQ-CYBMUJFWSA-N
MW251.33 g/mol
LogP2.05
Rot. Bonds8

About 2-butoxyethyl (2R)-2-amino-2-phenylacetate

2-butoxyethyl (2R)-2-amino-2-phenylacetate (PubChem CID 61302671) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-butoxyethyl (2R)-2-amino-2-phenylacetate.

Molecular Properties

Compound Name2-butoxyethyl (2R)-2-amino-2-phenylacetate
PubChem CID61302671
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-butoxyethyl (2R)-2-amino-2-phenylacetate
SMILESCCCCOCCOC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-2-3-9-17-10-11-18-14(16)13(15)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11,15H2,1H3/t13-/m1/s1
InChIKeyBTXCHVYNMGXEKQ-CYBMUJFWSA-N
XLogP2.05
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.05
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-propoxyethyl 2-amino-2-phenylacetate
CID 55234460
2-ethoxyethyl 2-amino-2-phenylacetate
CID 61278418
2-butoxyethyl 2-(diethylamino)-2-phenylacetate
CID 75452248
ethyl (2R)-2-amino-2-phenylacetate
CID 6922658
2-(2-methylpropoxy)ethyl (2S)-2-amino-2-phenylacetate
CID 106448098
ethyl 2-amino-2-phenylacetate chloride
CID 3083657
[(Z)-octadec-9-enyl] (2S)-2-amino-2-phenylacetate
CID 24894063
2-(2-butoxyethoxy)-1-phenylbutan-1-amine
CID 43127531
2-butoxyethyl 2-benzyl-3-methylbutanoate
CID 169153476
4-butoxy-1-phenylbutan-1-amine
CID 61483795
(2R)-2-amino-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61275798
argon;butyl 2-phenyl-2-sulfanylacetate
CID 161381761

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl (2R)-2-amino-2-phenylacetate?
The IUPAC name of 2-butoxyethyl (2R)-2-amino-2-phenylacetate (CID 61302671) is 2-butoxyethyl (2R)-2-amino-2-phenylacetate.
What is the SMILES notation for 2-butoxyethyl (2R)-2-amino-2-phenylacetate?
The canonical SMILES for 2-butoxyethyl (2R)-2-amino-2-phenylacetate is CCCCOCCOC(=O)[C@H](N)c1ccccc1.
What is the InChIKey of 2-butoxyethyl (2R)-2-amino-2-phenylacetate?
The InChIKey is BTXCHVYNMGXEKQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-3-9-17-10-11-18-14(16)13(15)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11,15H2,1H3/t13-/m1/s1.
What are the key properties of 2-butoxyethyl (2R)-2-amino-2-phenylacetate?
2-butoxyethyl (2R)-2-amino-2-phenylacetate has a molecular weight of 251.33 g/mol, XLogP of 2.05, 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-2-phenylacetate is sourced from PubChem (CID 61302671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).