5-[(1R)-1-aminoethyl]-2-hydroxybenzamide

C9H12N2O2 — CID 55255475

IUPAC5-[(1R)-1-aminoethyl]-2-hydroxybenzamide
SMILESC[C@@H](N)c1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C9H12N2O2/c1-5(10)6-2-3-8(12)7(4-6)9(11)13/h2-5,12H,10H2,1H3,(H2,11,13)/t5-/m1/s1
InChIKeyUGFNILNKUMTDML-RXMQYKEDSA-N
MW180.21 g/mol
LogP0.51
Rot. Bonds2

About 5-[(1R)-1-aminoethyl]-2-hydroxybenzamide

5-[(1R)-1-aminoethyl]-2-hydroxybenzamide (PubChem CID 55255475) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-[(1R)-1-aminoethyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[(1R)-1-aminoethyl]-2-hydroxybenzamide
PubChem CID55255475
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-[(1R)-1-aminoethyl]-2-hydroxybenzamide
SMILESC[C@@H](N)c1ccc(O)c(C(N)=O)c1
InChIInChI=1S/C9H12N2O2/c1-5(10)6-2-3-8(12)7(4-6)9(11)13/h2-5,12H,10H2,1H3,(H2,11,13)/t5-/m1/s1
InChIKeyUGFNILNKUMTDML-RXMQYKEDSA-N
XLogP0.51
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-[(1R)-1-aminoethyl]-2-hydroxybenzoate
CID 131104948
2-amino-5-[(1R)-1-aminoethyl]phenol
CID 55297300
4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894
ethyl 3-(3-carbamoyl-4-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171866564
5-[1,2-dihydroxy-3-(methylamino)propyl]-2-hydroxybenzamide
CID 171858406
5-(3-bromo-1,2-dihydroxypropyl)-2-hydroxybenzamide
CID 171860447
4-[(1R)-1-aminoethyl]-2-bromophenol
CID 78938003
5-(1-aminoethyl)-2-chlorobenzoic acid
CID 55271591
5-(1-aminoethyl)-2-hydroxybenzaldehyde
CID 105432657
2-hydroxy-5-propan-2-ylbenzoic acid
CID 12540049
4-(1-aminoethyl)-2-(difluoromethyl)phenol
CID 84660904
CID 174726274
CID 174726274

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-aminoethyl]-2-hydroxybenzamide?
The IUPAC name of 5-[(1R)-1-aminoethyl]-2-hydroxybenzamide (CID 55255475) is 5-[(1R)-1-aminoethyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[(1R)-1-aminoethyl]-2-hydroxybenzamide?
The canonical SMILES for 5-[(1R)-1-aminoethyl]-2-hydroxybenzamide is C[C@@H](N)c1ccc(O)c(C(N)=O)c1.
What is the InChIKey of 5-[(1R)-1-aminoethyl]-2-hydroxybenzamide?
The InChIKey is UGFNILNKUMTDML-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5(10)6-2-3-8(12)7(4-6)9(11)13/h2-5,12H,10H2,1H3,(H2,11,13)/t5-/m1/s1.
What are the key properties of 5-[(1R)-1-aminoethyl]-2-hydroxybenzamide?
5-[(1R)-1-aminoethyl]-2-hydroxybenzamide has a molecular weight of 180.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-aminoethyl]-2-hydroxybenzamide is sourced from PubChem (CID 55255475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).