(2S)-2-[deuterio(methyl)amino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid

C11H15NO3 — CID 87409389

IUPAC(2S)-2-[deuterio(methyl)amino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid
SMILES[2H]N(C)[C@@](C)(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-11(12-2,10(14)15)7-8-3-5-9(13)6-4-8/h3-6,12-13H,7H2,1-2H3,(H,14,15)/t11-/m0/s1/i/hD
InChIKeyUNNSTJCHJFWDSF-LPBHISBCSA-N
MW210.25 g/mol
LogP1.00
Rot. Bonds4

About (2S)-2-[deuterio(methyl)amino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid

(2S)-2-[deuterio(methyl)amino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid (PubChem CID 87409389) has the molecular formula C11H15NO3 and a molecular weight of 210.25 g/mol. Its IUPAC name is (2S)-2-[deuterio(methyl)amino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[deuterio(methyl)amino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid
PubChem CID87409389
Molecular FormulaC11H15NO3
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name(2S)-2-[deuterio(methyl)amino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid
SMILES[2H]N(C)[C@@](C)(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C11H15NO3/c1-11(12-2,10(14)15)7-8-3-5-9(13)6-4-8/h3-6,12-13H,7H2,1-2H3,(H,14,15)/t11-/m0/s1/i/hD
InChIKeyUNNSTJCHJFWDSF-LPBHISBCSA-N
XLogP1.00
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[deuterio(methyl)amino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-hydroxyphenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 22630288
(2S)-3-(4-hydroxyphenyl)-2-methyl-2-(propylamino)propanoic acid
CID 141089524
3-(4-hydroxyphenyl)-2-methyl-2-(pyridin-4-ylmethoxycarbonylamino)propanoic acid
CID 76807557
3-(4-chlorophenyl)-2-methyl-2-(methylamino)propanoic acid
CID 24978280
(2R)-2-(hexadecanoylamino)-3-(4-hydroxyphenyl)-2-methylpropanoic acid
CID 156648795
(2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride
CID 66988599
2-[(3-bromophenyl)methylamino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid
CID 44554248
(2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid
CID 90178447
3-(3,4-dihydroxyphenyl)-2-methyl-2-(methylamino)propanoic acid
CID 23724779
(2S)-2-(hydroxyamino)-2-methyl-3-phenylpropanoic acid
CID 88787436
3-(3,4-dihydroxyphenyl)-2-methyl-2-(methylamino)propanoic acid;hydrate
CID 23724778
3-ethoxy-2-[(4-hydroxyphenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 103973782

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[deuterio(methyl)amino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid?
The IUPAC name of (2S)-2-[deuterio(methyl)amino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid (CID 87409389) is (2S)-2-[deuterio(methyl)amino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for (2S)-2-[deuterio(methyl)amino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for (2S)-2-[deuterio(methyl)amino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid is [2H]N(C)[C@@](C)(Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[deuterio(methyl)amino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid?
The InChIKey is UNNSTJCHJFWDSF-LPBHISBCSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(12-2,10(14)15)7-8-3-5-9(13)6-4-8/h3-6,12-13H,7H2,1-2H3,(H,14,15)/t11-/m0/s1/i/hD.
What are the key properties of (2S)-2-[deuterio(methyl)amino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid?
(2S)-2-[deuterio(methyl)amino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid has a molecular weight of 210.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[deuterio(methyl)amino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 87409389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).