2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid

C12H17NO3 — CID 114987450

IUPAC2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid
SMILESCC(N)(COCCc1ccccc1)C(=O)O
InChIInChI=1S/C12H17NO3/c1-12(13,11(14)15)9-16-8-7-10-5-3-2-4-6-10/h2-6H,7-9,13H2,1H3,(H,14,15)
InChIKeyXZVJNARLQRTQSI-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.05
Rot. Bonds6

About 2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid

2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid (PubChem CID 114987450) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid
PubChem CID114987450
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid
SMILESCC(N)(COCCc1ccccc1)C(=O)O
InChIInChI=1S/C12H17NO3/c1-12(13,11(14)15)9-16-8-7-10-5-3-2-4-6-10/h2-6H,7-9,13H2,1H3,(H,14,15)
InChIKeyXZVJNARLQRTQSI-UHFFFAOYSA-N
XLogP1.05
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate
CID 114990437
(2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid
CID 121267296
2,4-diamino-2-(2-phenylethoxymethyl)butanoic acid
CID 70350872
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
tert-butyl carbamate;2-phenylethyl carbamate
CID 142108258
2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid
CID 119187691
bis[2-[2-(2-phenylethoxy)ethoxy]ethyl] hexanedioate
CID 69172633
2-phenylethyl acetate
CID 7654
2-phenylethyl 2,3,3-trimethylbutanoate
CID 118040086
2-O-(2,2-dimethylpropyl) 1-O-(2-phenylethyl) benzene-1,2-dicarboxylate
CID 6421945
acetic acid;2-phenylethyl acetate
CID 174791962

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid?
The IUPAC name of 2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid (CID 114987450) is 2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid.
What is the SMILES notation for 2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid?
The canonical SMILES for 2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid is CC(N)(COCCc1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid?
The InChIKey is XZVJNARLQRTQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-12(13,11(14)15)9-16-8-7-10-5-3-2-4-6-10/h2-6H,7-9,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid?
2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid has a molecular weight of 223.27 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-(2-phenylethoxy)propanoic acid is sourced from PubChem (CID 114987450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).