(2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid

C10H13NO4 — CID 90178447

IUPAC(2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid
SMILESCO[C@](N)(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H13NO4/c1-15-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyVMDYFBDHRFGUJB-SNVBAGLBSA-N
MW211.22 g/mol
LogP0.32
Rot. Bonds4

About (2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid

(2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid (PubChem CID 90178447) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid
PubChem CID90178447
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name(2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid
SMILESCO[C@](N)(Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C10H13NO4/c1-15-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyVMDYFBDHRFGUJB-SNVBAGLBSA-N
XLogP0.32
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.32
H-Bond Donors ≤ 53
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-[(4-hydroxyphenyl)methyl]butanoic acid
CID 69408244
2-amino-2-(fluoromethyl)-3-(4-hydroxyphenyl)propanoic acid
CID 11042087
(2R)-2-amino-3-(4-hydroxyphenyl)-2-phosphonopropanoic acid
CID 66892564
3-ethoxy-2-[(4-hydroxyphenyl)methyl]-2-methyl-3-oxopropanoic acid
CID 103973782
dimethyl (2S)-2-amino-2-[(4-hydroxyphenyl)methyl]butanedioate
CID 102312983
(2S)-2-[deuterio(methyl)amino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid
CID 87409389
3-(4-hydroxyphenyl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 22630288
1-(4-hydroxyphenyl)propane-2,2-diol
CID 71429856
2-ethoxycarbonyl-2-[(4-hydroxyphenyl)methyl]-3-methylbutanoic acid
CID 103974277
(2S)-3-(4-hydroxyphenyl)-2-methyl-2-(propylamino)propanoic acid
CID 141089524
3-(4-aminophenyl)-2-ethoxy-2-methoxypropanoic acid
CID 172836103
methyl 2-tert-butyl-2-[(4-hydroxyphenyl)methyl]-3,3-dimethylbutanoate
CID 67816552

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid?
The IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid (CID 90178447) is (2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid?
The canonical SMILES for (2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid is CO[C@](N)(Cc1ccc(O)cc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid?
The InChIKey is VMDYFBDHRFGUJB-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13NO4/c1-15-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid?
(2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-hydroxyphenyl)-2-methoxypropanoic acid is sourced from PubChem (CID 90178447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).