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

C10H13NO4 — CID 53398455

IUPAC3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C(N)C(O)C(=O)O)c1
InChIInChI=1S/C10H13NO4/c1-15-7-4-2-3-6(5-7)8(11)9(12)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)
InChIKeyICTHUARFCCZYSQ-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.14
Rot. Bonds4

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

3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid (PubChem CID 53398455) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid
PubChem CID53398455
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(C(N)C(O)C(=O)O)c1
InChIInChI=1S/C10H13NO4/c1-15-7-4-2-3-6(5-7)8(11)9(12)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14)
InChIKeyICTHUARFCCZYSQ-UHFFFAOYSA-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-fluoro-3-(3-methoxyphenyl)propanoic acid
CID 105466535
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
(2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 2762309
3-fluoro-2-(3-methoxyphenyl)butanoic acid
CID 105465777
(1S,2R)-1-amino-1-(3-methoxyphenyl)butan-2-ol;hydrochloride
CID 171161967
3-fluoro-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 105465807
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
(2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane
CID 159519060
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115785901
2-(3-methoxyphenyl)-3-phenylbutanoic acid
CID 82140167
4-amino-2-(3-methoxyphenyl)-4-oxobutanoic acid
CID 141007256
2-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 57276567

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid?
The IUPAC name of 3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid (CID 53398455) is 3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid?
The canonical SMILES for 3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid is COc1cccc(C(N)C(O)C(=O)O)c1.
What is the InChIKey of 3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid?
The InChIKey is ICTHUARFCCZYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-15-7-4-2-3-6(5-7)8(11)9(12)10(13)14/h2-5,8-9,12H,11H2,1H3,(H,13,14).
What are the key properties of 3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid?
3-amino-2-hydroxy-3-(3-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 3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 53398455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).