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

C10H13NO4 — CID 22456431

IUPAC2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1C(N)(CO)C(=O)O
InChIInChI=1S/C10H13NO4/c1-15-8-5-3-2-4-7(8)10(11,6-12)9(13)14/h2-5,12H,6,11H2,1H3,(H,13,14)
InChIKeyIWPIKFGYRHXJJP-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.07
Rot. Bonds4

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

2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid (PubChem CID 22456431) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid
PubChem CID22456431
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid
SMILESCOc1ccccc1C(N)(CO)C(=O)O
InChIInChI=1S/C10H13NO4/c1-15-8-5-3-2-4-7(8)10(11,6-12)9(13)14/h2-5,12H,6,11H2,1H3,(H,13,14)
InChIKeyIWPIKFGYRHXJJP-UHFFFAOYSA-N
XLogP-0.07
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 ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390
2,2-bis(2-methoxyphenyl)propanediamide
CID 118221758
2-amino-4-chloro-2-(2-methoxyphenyl)-3-oxopentanoic acid
CID 57052140
2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152834
triethyl (2-methoxyphenyl)methanetricarboxylate
CID 15732418
1-N-[2-(2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136375
2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid
CID 164851883
2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115151861
methyl 3-hydroxy-2-[tris(2-methoxyphenyl)methylamino]propanoate
CID 18323567
N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115191491
2-(2-methoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 114990548
ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid?
The IUPAC name of 2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid (CID 22456431) is 2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid is COc1ccccc1C(N)(CO)C(=O)O.
What is the InChIKey of 2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid?
The InChIKey is IWPIKFGYRHXJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-15-8-5-3-2-4-7(8)10(11,6-12)9(13)14/h2-5,12H,6,11H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid?
2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid has a molecular weight of 211.22 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 22456431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).