4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol

C9H13NO3 — CID 130658137

IUPAC4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol
SMILESCOC[C@H](N)c1ccc(O)c(O)c1
InChIInChI=1S/C9H13NO3/c1-13-5-7(10)6-2-3-8(11)9(12)4-6/h2-4,7,11-12H,5,10H2,1H3/t7-/m0/s1
InChIKeyIXAJZBYQMXYRIZ-ZETCQYMHSA-N
MW183.21 g/mol
LogP0.74
Rot. Bonds3

About 4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol

4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol (PubChem CID 130658137) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol
PubChem CID130658137
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol
SMILESCOC[C@H](N)c1ccc(O)c(O)c1
InChIInChI=1S/C9H13NO3/c1-13-5-7(10)6-2-3-8(11)9(12)4-6/h2-4,7,11-12H,5,10H2,1H3/t7-/m0/s1
InChIKeyIXAJZBYQMXYRIZ-ZETCQYMHSA-N
XLogP0.74
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[(1S)-1-amino-2-methoxyethyl]phenol
CID 55292260
4-[(1R)-1-aminobutyl]benzene-1,2-diol
CID 130624764
4-[(1S)-1,3-diaminopropyl]benzene-1,2-diol
CID 130817355
(1S)-1-(3,4-dibromophenyl)-2-methoxyethanamine
CID 130739602
5-(1-amino-2-methoxyethyl)-2-methylaniline
CID 55293794
4-amino-2-(1-amino-2-methoxyethyl)phenol
CID 55294234
4-[(1S)-1-amino-3-methylbut-3-enyl]benzene-1,2-diol;hydrochloride
CID 171217616
(1S)-1-(4-bromophenyl)-2-methoxyethanamine
CID 95448248
(1R)-2-methoxy-1-(3-propan-2-ylphenyl)ethanamine
CID 55295618
3-[(1S)-1-amino-2-methoxyethyl]aniline
CID 55291978
4-(2-amino-1-methoxyethyl)benzene-1,2-diol
CID 54042907
(1R)-1-(3-bromo-4-chlorophenyl)-2-methoxyethanamine
CID 131168794

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol?
The IUPAC name of 4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol (CID 130658137) is 4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol?
The canonical SMILES for 4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol is COC[C@H](N)c1ccc(O)c(O)c1.
What is the InChIKey of 4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol?
The InChIKey is IXAJZBYQMXYRIZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13NO3/c1-13-5-7(10)6-2-3-8(11)9(12)4-6/h2-4,7,11-12H,5,10H2,1H3/t7-/m0/s1.
What are the key properties of 4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol?
4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol has a molecular weight of 183.21 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2-methoxyethyl]benzene-1,2-diol is sourced from PubChem (CID 130658137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).