methyl 5-[(1R)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride

C10H13Cl2NO3 — CID 133268754

IUPACmethyl 5-[(1R)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride
SMILESCOC(=O)c1cc([C@@H](N)CO)ccc1Cl.Cl
InChIInChI=1S/C10H12ClNO3.ClH/c1-15-10(14)7-4-6(9(12)5-13)2-3-8(7)11;/h2-4,9,13H,5,12H2,1H3;1H/t9-;/m0./s1
InChIKeyFZAOTWPXCMVXJN-FVGYRXGTSA-N
MW266.12 g/mol
LogP1.54
Rot. Bonds3

About methyl 5-[(1R)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride

methyl 5-[(1R)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride (PubChem CID 133268754) has the molecular formula C10H13Cl2NO3 and a molecular weight of 266.12 g/mol. Its IUPAC name is methyl 5-[(1R)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-[(1R)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride
PubChem CID133268754
Molecular FormulaC10H13Cl2NO3
Molecular Weight266.12 g/mol
Exact Mass265.03
IUPAC Namemethyl 5-[(1R)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride
SMILESCOC(=O)c1cc([C@@H](N)CO)ccc1Cl.Cl
InChIInChI=1S/C10H12ClNO3.ClH/c1-15-10(14)7-4-6(9(12)5-13)2-3-8(7)11;/h2-4,9,13H,5,12H2,1H3;1H/t9-;/m0./s1
InChIKeyFZAOTWPXCMVXJN-FVGYRXGTSA-N
XLogP1.54
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(1S)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride
CID 91825956
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
methyl 2-chloro-5-(1,2,4-trihydroxybutyl)benzoate
CID 171872848
2-amino-2-(4-chloro-3-ethylphenyl)ethanol
CID 166687598
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
methyl 3-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 44630877
2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971
methyl 5-amino-2-chlorobenzoate
CID 5200412
methyl 5-[(1R)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
CID 131869040
4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol
CID 55277962
dimethyl 4-amino-6-chlorobenzene-1,3-dicarboxylate
CID 10824163
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride
CID 155903191

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1R)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride?
The IUPAC name of methyl 5-[(1R)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride (CID 133268754) is methyl 5-[(1R)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride.
What is the SMILES notation for methyl 5-[(1R)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride?
The canonical SMILES for methyl 5-[(1R)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride is COC(=O)c1cc([C@@H](N)CO)ccc1Cl.Cl.
What is the InChIKey of methyl 5-[(1R)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride?
The InChIKey is FZAOTWPXCMVXJN-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H12ClNO3.ClH/c1-15-10(14)7-4-6(9(12)5-13)2-3-8(7)11;/h2-4,9,13H,5,12H2,1H3;1H/t9-;/m0./s1.
What are the key properties of methyl 5-[(1R)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride?
methyl 5-[(1R)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride has a molecular weight of 266.12 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1R)-1-amino-2-hydroxyethyl]-2-chlorobenzoate;hydrochloride is sourced from PubChem (CID 133268754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).