(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid

C10H13NO4 — CID 10965805

IUPAC(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc([C@@H](O)[C@H](N)C(=O)O)cc1
InChIInChI=1S/C10H13NO4/c1-15-7-4-2-6(3-5-7)9(12)8(11)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9+/m0/s1
InChIKeyYEMITEDRQMFNKS-DTWKUNHWSA-N
MW211.22 g/mol
LogP0.14
Rot. Bonds4

About (2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid

(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid (PubChem CID 10965805) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
PubChem CID10965805
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc([C@@H](O)[C@H](N)C(=O)O)cc1
InChIInChI=1S/C10H13NO4/c1-15-7-4-2-6(3-5-7)9(12)8(11)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9+/m0/s1
InChIKeyYEMITEDRQMFNKS-DTWKUNHWSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 66205949
(3R)-2-chloro-3-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 140981337
(2R,3S)-2-amino-3-(3,4-dimethoxyphenyl)-3-hydroxypropanoic acid
CID 92975262
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
(1S,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 90478708
(1R,2S)-2-amino-1,2-bis(4-methoxyphenyl)ethanol
CID 10707410
2-amino-3-hydroxy-3-phenylpropanoic acid
CID 66621998
methyl (2S,3R)-2,3-dihydroxy-3-(4-methoxyphenyl)propanoate
CID 11042413
methyl 2-[hydroxy-(4-methoxyphenyl)methyl]-3-methylbutanoate
CID 55071608
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
(2R,3R)-3-hydroxy-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 15011210
2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid
CID 66207160

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid?
The IUPAC name of (2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid (CID 10965805) is (2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for (2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid is COc1ccc([C@@H](O)[C@H](N)C(=O)O)cc1.
What is the InChIKey of (2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid?
The InChIKey is YEMITEDRQMFNKS-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H13NO4/c1-15-7-4-2-6(3-5-7)9(12)8(11)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)/t8-,9+/m0/s1.
What are the key properties of (2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid?
(2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-hydroxy-3-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 10965805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).