5-(1-amino-2-hydroxyethyl)-2-hydroxy-4-methoxybenzoic acid

C10H13NO5 — CID 117326312

IUPAC5-(1-amino-2-hydroxyethyl)-2-hydroxy-4-methoxybenzoic acid
SMILESCOc1cc(O)c(C(=O)O)cc1C(N)CO
InChIInChI=1S/C10H13NO5/c1-16-9-3-8(13)6(10(14)15)2-5(9)7(11)4-12/h2-3,7,12-13H,4,11H2,1H3,(H,14,15)
InChIKeyJPPOANZCBQNKTP-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.09
Rot. Bonds4

About 5-(1-amino-2-hydroxyethyl)-2-hydroxy-4-methoxybenzoic acid

5-(1-amino-2-hydroxyethyl)-2-hydroxy-4-methoxybenzoic acid (PubChem CID 117326312) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 5-(1-amino-2-hydroxyethyl)-2-hydroxy-4-methoxybenzoic acid.

Molecular Properties

Compound Name5-(1-amino-2-hydroxyethyl)-2-hydroxy-4-methoxybenzoic acid
PubChem CID117326312
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name5-(1-amino-2-hydroxyethyl)-2-hydroxy-4-methoxybenzoic acid
SMILESCOc1cc(O)c(C(=O)O)cc1C(N)CO
InChIInChI=1S/C10H13NO5/c1-16-9-3-8(13)6(10(14)15)2-5(9)7(11)4-12/h2-3,7,12-13H,4,11H2,1H3,(H,14,15)
InChIKeyJPPOANZCBQNKTP-UHFFFAOYSA-N
XLogP0.09
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(2,4,5-trimethoxyphenyl)ethanol;oxalic acid
CID 17389866
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
5-[(1S)-1-amino-2-hydroxyethyl]-2-fluoro-4-hydroxybenzoic acid
CID 66514552
(2R)-2-amino-2-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 66514299
2-amino-2-[5-(difluoromethyl)-2,4-dimethoxyphenyl]ethanol
CID 117369704
(2S)-2-amino-2-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 66516031
3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444
methyl 2-[(1S)-1-amino-2-hydroxyethyl]-4,5-dimethoxybenzoate
CID 66515274
2-[(1S)-1-amino-2-hydroxyethyl]-4-methoxy-5-methylphenol
CID 55277131
4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
CID 66514027
2-amino-2-(4-tert-butyl-2,5-dimethoxyphenyl)ethanol
CID 117386584

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-hydroxyethyl)-2-hydroxy-4-methoxybenzoic acid?
The IUPAC name of 5-(1-amino-2-hydroxyethyl)-2-hydroxy-4-methoxybenzoic acid (CID 117326312) is 5-(1-amino-2-hydroxyethyl)-2-hydroxy-4-methoxybenzoic acid.
What is the SMILES notation for 5-(1-amino-2-hydroxyethyl)-2-hydroxy-4-methoxybenzoic acid?
The canonical SMILES for 5-(1-amino-2-hydroxyethyl)-2-hydroxy-4-methoxybenzoic acid is COc1cc(O)c(C(=O)O)cc1C(N)CO.
What is the InChIKey of 5-(1-amino-2-hydroxyethyl)-2-hydroxy-4-methoxybenzoic acid?
The InChIKey is JPPOANZCBQNKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-16-9-3-8(13)6(10(14)15)2-5(9)7(11)4-12/h2-3,7,12-13H,4,11H2,1H3,(H,14,15).
What are the key properties of 5-(1-amino-2-hydroxyethyl)-2-hydroxy-4-methoxybenzoic acid?
5-(1-amino-2-hydroxyethyl)-2-hydroxy-4-methoxybenzoic acid has a molecular weight of 227.22 g/mol, XLogP of 0.09, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-hydroxyethyl)-2-hydroxy-4-methoxybenzoic acid is sourced from PubChem (CID 117326312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).