5-[(1R)-1,5-diaminopentyl]-2-hydroxybenzoic acid;hydrochloride

C12H19ClN2O3 — CID 171211673

IUPAC5-[(1R)-1,5-diaminopentyl]-2-hydroxybenzoic acid;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C12H18N2O3.ClH/c13-6-2-1-3-10(14)8-4-5-11(15)9(7-8)12(16)17;/h4-5,7,10,15H,1-3,6,13-14H2,(H,16,17);1H/t10-;/m1./s1
InChIKeyKBFZQUMYZZMRRT-HNCPQSOCSA-N
MW274.75 g/mol
LogP1.64
Rot. Bonds6

About 5-[(1R)-1,5-diaminopentyl]-2-hydroxybenzoic acid;hydrochloride

5-[(1R)-1,5-diaminopentyl]-2-hydroxybenzoic acid;hydrochloride (PubChem CID 171211673) has the molecular formula C12H19ClN2O3 and a molecular weight of 274.75 g/mol. Its IUPAC name is 5-[(1R)-1,5-diaminopentyl]-2-hydroxybenzoic acid;hydrochloride.

Molecular Properties

Compound Name5-[(1R)-1,5-diaminopentyl]-2-hydroxybenzoic acid;hydrochloride
PubChem CID171211673
Molecular FormulaC12H19ClN2O3
Molecular Weight274.75 g/mol
Exact Mass274.11
IUPAC Name5-[(1R)-1,5-diaminopentyl]-2-hydroxybenzoic acid;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C12H18N2O3.ClH/c13-6-2-1-3-10(14)8-4-5-11(15)9(7-8)12(16)17;/h4-5,7,10,15H,1-3,6,13-14H2,(H,16,17);1H/t10-;/m1./s1
InChIKeyKBFZQUMYZZMRRT-HNCPQSOCSA-N
XLogP1.64
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(1S)-1,5-diaminopentyl]-2-hydroxybenzoic acid;hydrochloride
CID 171231278
5-[(1R)-1-aminopentyl]-2-hydroxybenzoic acid
CID 171211681
5-[(1S)-1-amino-2-sulfanylethyl]-2-hydroxybenzoic acid
CID 137455023
5-(1-amino-2-sulfanylethyl)-2-hydroxybenzoic acid
CID 142463282
5-[(1R)-1-amino-3-methoxy-3-oxopropyl]-2-hydroxybenzoic acid;hydrochloride
CID 171250288
4-[(1S)-1,3-diaminopropyl]benzene-1,2-diol
CID 130817355
4-[(1R)-1,4-diaminobutyl]-2-nitrophenol;hydrochloride
CID 171199926
(1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171210029
2-hydroxy-5-propan-2-ylbenzoic acid
CID 12540049
5-[(1R)-1,5-diaminopentyl]benzene-1,3-diol;hydrochloride
CID 171199887
(1R)-1-(3,4-dimethylphenyl)pentane-1,5-diamine;hydrochloride
CID 171200476
3-[(1S)-1,5-diaminopentyl]phenol
CID 171218046

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1,5-diaminopentyl]-2-hydroxybenzoic acid;hydrochloride?
The IUPAC name of 5-[(1R)-1,5-diaminopentyl]-2-hydroxybenzoic acid;hydrochloride (CID 171211673) is 5-[(1R)-1,5-diaminopentyl]-2-hydroxybenzoic acid;hydrochloride.
What is the SMILES notation for 5-[(1R)-1,5-diaminopentyl]-2-hydroxybenzoic acid;hydrochloride?
The canonical SMILES for 5-[(1R)-1,5-diaminopentyl]-2-hydroxybenzoic acid;hydrochloride is Cl.NCCCC[C@@H](N)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[(1R)-1,5-diaminopentyl]-2-hydroxybenzoic acid;hydrochloride?
The InChIKey is KBFZQUMYZZMRRT-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H18N2O3.ClH/c13-6-2-1-3-10(14)8-4-5-11(15)9(7-8)12(16)17;/h4-5,7,10,15H,1-3,6,13-14H2,(H,16,17);1H/t10-;/m1./s1.
What are the key properties of 5-[(1R)-1,5-diaminopentyl]-2-hydroxybenzoic acid;hydrochloride?
5-[(1R)-1,5-diaminopentyl]-2-hydroxybenzoic acid;hydrochloride has a molecular weight of 274.75 g/mol, XLogP of 1.64, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1,5-diaminopentyl]-2-hydroxybenzoic acid;hydrochloride is sourced from PubChem (CID 171211673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).