5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid

C12H17NO3 — CID 171211681

IUPAC5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid
SMILESCCCC[C@@H](N)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C12H17NO3/c1-2-3-4-10(13)8-5-6-11(14)9(7-8)12(15)16/h5-7,10,14H,2-4,13H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeySQJKAANPVXVRAH-SNVBAGLBSA-N
MW223.27 g/mol
LogP2.28
Rot. Bonds5

About 5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid

5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid (PubChem CID 171211681) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid
PubChem CID171211681
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid
SMILESCCCC[C@@H](N)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C12H17NO3/c1-2-3-4-10(13)8-5-6-11(14)9(7-8)12(15)16/h5-7,10,14H,2-4,13H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeySQJKAANPVXVRAH-SNVBAGLBSA-N
XLogP2.28
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1R)-1,5-diaminopentyl]-2-hydroxybenzoic acid;hydrochloride
CID 171211673
5-[(1S)-1,5-diaminopentyl]-2-hydroxybenzoic acid;hydrochloride
CID 171231278
5-[(1S)-1-amino-2-sulfanylethyl]-2-hydroxybenzoic acid
CID 137455023
5-(1-amino-2-sulfanylethyl)-2-hydroxybenzoic acid
CID 142463282
4-[(1S)-1-aminopentyl]-2-methylphenol
CID 171145513
5-[(1R)-1-amino-3-methoxy-3-oxopropyl]-2-hydroxybenzoic acid;hydrochloride
CID 171250288
2-hydroxy-5-propan-2-ylbenzoic acid
CID 12540049
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
2-hydroxy-5-[(1S)-1-hydroxyethyl]benzoic acid
CID 131037950
4-[(1R)-1-aminobutyl]benzene-1,2-diol
CID 130624764
4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride
CID 171200829
5-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 162344330

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid (CID 171211681) is 5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid is CCCC[C@@H](N)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid?
The InChIKey is SQJKAANPVXVRAH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-3-4-10(13)8-5-6-11(14)9(7-8)12(15)16/h5-7,10,14H,2-4,13H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid?
5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid has a molecular weight of 223.27 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 171211681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).