2-amino-2-[[4-(methoxymethoxy)phenyl]methyl]butanoic acid

C13H19NO4 — CID 146628259

IUPAC2-amino-2-[[4-(methoxymethoxy)phenyl]methyl]butanoic acid
SMILESCCC(N)(Cc1ccc(OCOC)cc1)C(=O)O
InChIInChI=1S/C13H19NO4/c1-3-13(14,12(15)16)8-10-4-6-11(7-5-10)18-9-17-2/h4-7H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyJNCGMXZOUCIQFW-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.40
Rot. Bonds7

About 2-amino-2-[[4-(methoxymethoxy)phenyl]methyl]butanoic acid

2-amino-2-[[4-(methoxymethoxy)phenyl]methyl]butanoic acid (PubChem CID 146628259) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-amino-2-[[4-(methoxymethoxy)phenyl]methyl]butanoic acid.

Molecular Properties

Compound Name2-amino-2-[[4-(methoxymethoxy)phenyl]methyl]butanoic acid
PubChem CID146628259
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-amino-2-[[4-(methoxymethoxy)phenyl]methyl]butanoic acid
SMILESCCC(N)(Cc1ccc(OCOC)cc1)C(=O)O
InChIInChI=1S/C13H19NO4/c1-3-13(14,12(15)16)8-10-4-6-11(7-5-10)18-9-17-2/h4-7H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyJNCGMXZOUCIQFW-UHFFFAOYSA-N
XLogP1.40
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(fluoromethyl)-3-[4-(methoxymethoxy)phenyl]propanoic acid
CID 175606160
2-amino-2-[(4-hydroxyphenyl)methyl]butanoic acid
CID 69408244
(2S)-2-amino-2-[(4-chlorophenyl)methyl]butanoic acid
CID 70178443
1-ethyl-4-(methoxymethoxy)benzene
CID 54365082
2-ethyl-2-[(4-methoxyphenyl)methyl]butanoic acid
CID 79015562
1-(methoxymethoxy)-4-[2-(methoxymethoxy)-2-methylpropyl]benzene
CID 86007053
1,4-bis(methoxymethoxy)benzene
CID 542643
2-amino-2-benzylpentanoic acid
CID 24974249
[4-(methoxymethoxy)phenyl]methanol
CID 11607984
methoxymethyl 4-(methoxymethoxy)benzoate
CID 142723008
1-(methoxymethoxy)-4-(methoxymethyl)benzene
CID 59017141
ethyl 2-amino-2-benzylbutanoate
CID 10857051

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[[4-(methoxymethoxy)phenyl]methyl]butanoic acid?
The IUPAC name of 2-amino-2-[[4-(methoxymethoxy)phenyl]methyl]butanoic acid (CID 146628259) is 2-amino-2-[[4-(methoxymethoxy)phenyl]methyl]butanoic acid.
What is the SMILES notation for 2-amino-2-[[4-(methoxymethoxy)phenyl]methyl]butanoic acid?
The canonical SMILES for 2-amino-2-[[4-(methoxymethoxy)phenyl]methyl]butanoic acid is CCC(N)(Cc1ccc(OCOC)cc1)C(=O)O.
What is the InChIKey of 2-amino-2-[[4-(methoxymethoxy)phenyl]methyl]butanoic acid?
The InChIKey is JNCGMXZOUCIQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-13(14,12(15)16)8-10-4-6-11(7-5-10)18-9-17-2/h4-7H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-2-[[4-(methoxymethoxy)phenyl]methyl]butanoic acid?
2-amino-2-[[4-(methoxymethoxy)phenyl]methyl]butanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[[4-(methoxymethoxy)phenyl]methyl]butanoic acid is sourced from PubChem (CID 146628259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).