(2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid

C10H13NO4 — CID 39869077

IUPAC(2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid
SMILESCOc1cc(O)cc(C[C@H](N)C(=O)O)c1
InChIInChI=1S/C10H13NO4/c1-15-8-3-6(2-7(12)5-8)4-9(11)10(13)14/h2-3,5,9,12H,4,11H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyIXPJIPZODIUZGJ-VIFPVBQESA-N
MW211.22 g/mol
LogP0.36
Rot. Bonds4

About (2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid

(2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid (PubChem CID 39869077) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid
PubChem CID39869077
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name(2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid
SMILESCOc1cc(O)cc(C[C@H](N)C(=O)O)c1
InChIInChI=1S/C10H13NO4/c1-15-8-3-6(2-7(12)5-8)4-9(11)10(13)14/h2-3,5,9,12H,4,11H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyIXPJIPZODIUZGJ-VIFPVBQESA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid
CID 39869075
(2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
CID 71742199
(2S)-2-amino-3-(3-methoxy-5-nitrophenyl)propanoic acid
CID 106702750
2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid
CID 117298569
(2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid
CID 55268885
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
2-amino-3-(3,5-difluoro-4-methoxyphenyl)propanoic acid
CID 46737478
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642
2-amino-3-[3-(2-fluoroethyl)-5-hydroxyphenyl]propanoic acid
CID 69488080
3-(4-acetyloxy-3,5-dimethoxyphenyl)-2-aminopropanoic acid
CID 170879558
3-(3,5-dimethoxyphenyl)-2-sulfanylpropanoic acid
CID 60795029
2-amino-3-(4-hydroxyphenyl)propanoic acid;methoxymethanol
CID 70443356

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid (CID 39869077) is (2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid is COc1cc(O)cc(C[C@H](N)C(=O)O)c1.
What is the InChIKey of (2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid?
The InChIKey is IXPJIPZODIUZGJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO4/c1-15-8-3-6(2-7(12)5-8)4-9(11)10(13)14/h2-3,5,9,12H,4,11H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid?
(2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid is sourced from PubChem (CID 39869077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).