2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid

C10H13NO3 — CID 65056465

IUPAC2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1ccc(O)cc1
InChIInChI=1S/C10H13NO3/c1-11(7-10(13)14)6-8-2-4-9(12)5-3-8/h2-5,12H,6-7H2,1H3,(H,13,14)
InChIKeyPZZFLKILJGILHL-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.91
Rot. Bonds4

About 2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid

2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid (PubChem CID 65056465) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid
PubChem CID65056465
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1ccc(O)cc1
InChIInChI=1S/C10H13NO3/c1-11(7-10(13)14)6-8-2-4-9(12)5-3-8/h2-5,12H,6-7H2,1H3,(H,13,14)
InChIKeyPZZFLKILJGILHL-UHFFFAOYSA-N
XLogP0.91
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 82972700
2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid
CID 23422378
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid
CID 43386086
4-[(4-hydroxyphenyl)methyl-methylamino]butanoic acid
CID 65068076
N,N-diethyl-2-[(4-hydroxyphenyl)methyl-methylamino]acetamide
CID 82973362
2-[(4-ethylsulfonylphenyl)methyl-methylamino]acetic acid
CID 98018398
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612
2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid
CID 155421471
2-[[4-(dibenzylcarbamoyl)phenyl]methyl-methylamino]acetic acid
CID 59826363
4-[[carboxymethyl(methyl)amino]methyl]phthalic acid
CID 122189594
2-[(4-hydroxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266500
2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid
CID 98017404

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid (CID 65056465) is 2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid is CN(CC(=O)O)Cc1ccc(O)cc1.
What is the InChIKey of 2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid?
The InChIKey is PZZFLKILJGILHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-11(7-10(13)14)6-8-2-4-9(12)5-3-8/h2-5,12H,6-7H2,1H3,(H,13,14).
What are the key properties of 2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid?
2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid has a molecular weight of 195.22 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid is sourced from PubChem (CID 65056465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).