(2R)-2-(3-hydroxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetic acid

C14H15NO3S — CID 97203516

IUPAC(2R)-2-(3-hydroxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetic acid
SMILESCN(Cc1cccs1)[C@@H](C(=O)O)c1cccc(O)c1
InChIInChI=1S/C14H15NO3S/c1-15(9-12-6-3-7-19-12)13(14(17)18)10-4-2-5-11(16)8-10/h2-8,13,16H,9H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyCDEOTXUPOAQNHS-CYBMUJFWSA-N
MW277.35 g/mol
LogP2.71
Rot. Bonds5

About (2R)-2-(3-hydroxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetic acid

(2R)-2-(3-hydroxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetic acid (PubChem CID 97203516) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is (2R)-2-(3-hydroxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(3-hydroxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetic acid
PubChem CID97203516
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name(2R)-2-(3-hydroxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetic acid
SMILESCN(Cc1cccs1)[C@@H](C(=O)O)c1cccc(O)c1
InChIInChI=1S/C14H15NO3S/c1-15(9-12-6-3-7-19-12)13(14(17)18)10-4-2-5-11(16)8-10/h2-8,13,16H,9H2,1H3,(H,17,18)/t13-/m1/s1
InChIKeyCDEOTXUPOAQNHS-CYBMUJFWSA-N
XLogP2.71
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 43527695
2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850
3-[methyl(thiophen-2-ylmethyl)amino]-3-phenylpropan-1-ol
CID 75514970
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-phenylacetic acid
CID 61441934
1-(2,4-dihydroxyphenyl)-2-[propan-2-yl(thiophen-2-ylmethyl)amino]ethanone
CID 62036910
2-[[methyl(thiophen-2-ylmethyl)amino]methyl]butanoic acid
CID 115249975
2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid
CID 61454199
N-ethyl-2,4-dihydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 103602482
N-ethyl-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide
CID 134014388
2-[furan-2-ylmethyl(methyl)amino]-2-thiophen-3-ylacetic acid
CID 138003631
(2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid
CID 104876158
3-[propan-2-yl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61451665

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-hydroxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetic acid?
The IUPAC name of (2R)-2-(3-hydroxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetic acid (CID 97203516) is (2R)-2-(3-hydroxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for (2R)-2-(3-hydroxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetic acid?
The canonical SMILES for (2R)-2-(3-hydroxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetic acid is CN(Cc1cccs1)[C@@H](C(=O)O)c1cccc(O)c1.
What is the InChIKey of (2R)-2-(3-hydroxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetic acid?
The InChIKey is CDEOTXUPOAQNHS-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-15(9-12-6-3-7-19-12)13(14(17)18)10-4-2-5-11(16)8-10/h2-8,13,16H,9H2,1H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-(3-hydroxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetic acid?
(2R)-2-(3-hydroxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetic acid has a molecular weight of 277.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-hydroxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 97203516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).