methyl 5-[(1R)-1-aminoethyl]-2-hydroxybenzoate

C10H13NO3 — CID 131104948

IUPACmethyl 5-[(1R)-1-aminoethyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc([C@@H](C)N)ccc1O
InChIInChI=1S/C10H13NO3/c1-6(11)7-3-4-9(12)8(5-7)10(13)14-2/h3-6,12H,11H2,1-2H3/t6-/m1/s1
InChIKeySZXPKTVGGIUHEG-ZCFIWIBFSA-N
MW195.22 g/mol
LogP1.20
Rot. Bonds2

About methyl 5-[(1R)-1-aminoethyl]-2-hydroxybenzoate

methyl 5-[(1R)-1-aminoethyl]-2-hydroxybenzoate (PubChem CID 131104948) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 5-[(1R)-1-aminoethyl]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-[(1R)-1-aminoethyl]-2-hydroxybenzoate
PubChem CID131104948
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl 5-[(1R)-1-aminoethyl]-2-hydroxybenzoate
SMILESCOC(=O)c1cc([C@@H](C)N)ccc1O
InChIInChI=1S/C10H13NO3/c1-6(11)7-3-4-9(12)8(5-7)10(13)14-2/h3-6,12H,11H2,1-2H3/t6-/m1/s1
InChIKeySZXPKTVGGIUHEG-ZCFIWIBFSA-N
XLogP1.20
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1R)-1-aminoethyl]-2-hydroxybenzamide
CID 55255475
methyl 4-[(1R)-1-aminoethyl]-2-methylbenzoate
CID 124539705
methyl 2-hydroxy-5-(1,2,3-trihydroxypropyl)benzoate
CID 170818438
methyl 2-hydroxy-5-[hydroxy(propylamino)methyl]benzoate
CID 166872747
methyl 5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)-2-hydroxybenzoate
CID 171896189
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
methanol;methyl 4-[(1S)-1-aminoethyl]benzoate
CID 143623617
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
methyl 3-[(1S)-1-aminoethyl]benzoate;hydrochloride
CID 74889916
5-(1-aminoethyl)-2-methoxybenzoic acid
CID 105448790
2-hydroxy-5-propan-2-ylbenzoic acid
CID 12540049

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1R)-1-aminoethyl]-2-hydroxybenzoate?
The IUPAC name of methyl 5-[(1R)-1-aminoethyl]-2-hydroxybenzoate (CID 131104948) is methyl 5-[(1R)-1-aminoethyl]-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-[(1R)-1-aminoethyl]-2-hydroxybenzoate?
The canonical SMILES for methyl 5-[(1R)-1-aminoethyl]-2-hydroxybenzoate is COC(=O)c1cc([C@@H](C)N)ccc1O.
What is the InChIKey of methyl 5-[(1R)-1-aminoethyl]-2-hydroxybenzoate?
The InChIKey is SZXPKTVGGIUHEG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6(11)7-3-4-9(12)8(5-7)10(13)14-2/h3-6,12H,11H2,1-2H3/t6-/m1/s1.
What are the key properties of methyl 5-[(1R)-1-aminoethyl]-2-hydroxybenzoate?
methyl 5-[(1R)-1-aminoethyl]-2-hydroxybenzoate has a molecular weight of 195.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1R)-1-aminoethyl]-2-hydroxybenzoate is sourced from PubChem (CID 131104948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).