methyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate

C13H19NO3 — CID 114990437

IUPACmethyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate
SMILESCOC(=O)C(C)(N)COCCc1ccccc1
InChIInChI=1S/C13H19NO3/c1-13(14,12(15)16-2)10-17-9-8-11-6-4-3-5-7-11/h3-7H,8-10,14H2,1-2H3
InChIKeyNCGRYMOFJUHLHC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.14
Rot. Bonds6

About methyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate

methyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate (PubChem CID 114990437) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate
PubChem CID114990437
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate
SMILESCOC(=O)C(C)(N)COCCc1ccccc1
InChIInChI=1S/C13H19NO3/c1-13(14,12(15)16-2)10-17-9-8-11-6-4-3-5-7-11/h3-7H,8-10,14H2,1-2H3
InChIKeyNCGRYMOFJUHLHC-UHFFFAOYSA-N
XLogP1.14
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.14
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-amino-2-methyl-3-(2-phenylethoxy)propanoic acid
CID 114987450
2,4-diamino-2-(2-phenylethoxymethyl)butanoic acid
CID 70350872
methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate
CID 65485948
methyl 2-amino-3-(3,3-dimethylbutoxy)-2-methylpropanoate
CID 66226341
2-(2-methoxyethoxy)ethylbenzene
CID 21135488
methyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate
CID 65487858
(2S)-2-amino-2-methyl-3-phenylmethoxypropanoic acid
CID 121267296
dimethyl 2-amino-2-benzylpropanedioate
CID 134836854
methyl 2-amino-2-benzyl-3-phenylpropanoate
CID 10825855
methyl 2-amino-2,4-dimethyl-4-phenylpentanoate
CID 14899524
tert-butyl carbamate;2-phenylethyl carbamate
CID 142108258
N-(2-amino-2-ethylbutyl)-2-(2-phenylethoxy)acetamide
CID 119643311

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate?
The IUPAC name of methyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate (CID 114990437) is methyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate.
What is the SMILES notation for methyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate?
The canonical SMILES for methyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate is COC(=O)C(C)(N)COCCc1ccccc1.
What is the InChIKey of methyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate?
The InChIKey is NCGRYMOFJUHLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(14,12(15)16-2)10-17-9-8-11-6-4-3-5-7-11/h3-7H,8-10,14H2,1-2H3.
What are the key properties of methyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate?
methyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate has a molecular weight of 237.30 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-methyl-3-(2-phenylethoxy)propanoate is sourced from PubChem (CID 114990437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).