2-amino-2-(3-methoxyphenyl)propanoic acid

C10H13NO3 — CID 4018837

IUPAC2-amino-2-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C(C)(N)C(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-10(11,9(12)13)7-4-3-5-8(6-7)14-2/h3-6H,11H2,1-2H3,(H,12,13)
InChIKeyHFOMZMYXPRFWHU-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.95
Rot. Bonds3

About 2-amino-2-(3-methoxyphenyl)propanoic acid

2-amino-2-(3-methoxyphenyl)propanoic acid (PubChem CID 4018837) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-amino-2-(3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-(3-methoxyphenyl)propanoic acid
PubChem CID4018837
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-amino-2-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C(C)(N)C(=O)O)c1
InChIInChI=1S/C10H13NO3/c1-10(11,9(12)13)7-4-3-5-8(6-7)14-2/h3-6H,11H2,1-2H3,(H,12,13)
InChIKeyHFOMZMYXPRFWHU-UHFFFAOYSA-N
XLogP0.95
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3-methoxyphenyl)propanamide
CID 60795453
2-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
2-bromo-2-(3-methoxyphenyl)propanoic acid
CID 19795685
(2S)-2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 138393509
2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 129319861
(2R)-2-amino-2-(3-phenylmethoxyphenyl)propanoic acid
CID 7345316
(2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 11085823
formaldehyde;2-(3-methoxyphenyl)propan-2-amine
CID 143998972
5-amino-2-(3-methoxyphenyl)-2-methylpentanoic acid
CID 117049749
2,2,2-tris(3-methoxyphenyl)acetamide
CID 174763658
2-ethyl-2-(3-methoxyphenyl)propanedioic acid
CID 165450739
2-ethoxy-2-(3-methoxyphenyl)propanoic acid
CID 114987500

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-methoxyphenyl)propanoic acid?
The IUPAC name of 2-amino-2-(3-methoxyphenyl)propanoic acid (CID 4018837) is 2-amino-2-(3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-2-(3-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-2-(3-methoxyphenyl)propanoic acid is COc1cccc(C(C)(N)C(=O)O)c1.
What is the InChIKey of 2-amino-2-(3-methoxyphenyl)propanoic acid?
The InChIKey is HFOMZMYXPRFWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-10(11,9(12)13)7-4-3-5-8(6-7)14-2/h3-6H,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-2-(3-methoxyphenyl)propanoic acid?
2-amino-2-(3-methoxyphenyl)propanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 4018837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).