5-[(R)-amino(cyclohexyl)methyl]-2-hydroxybenzoic acid;hydrochloride

C14H20ClNO3 — CID 171211702

IUPAC5-[(R)-amino(cyclohexyl)methyl]-2-hydroxybenzoic acid;hydrochloride
SMILESCl.N[C@@H](c1ccc(O)c(C(=O)O)c1)C1CCCCC1
InChIInChI=1S/C14H19NO3.ClH/c15-13(9-4-2-1-3-5-9)10-6-7-12(16)11(8-10)14(17)18;/h6-9,13,16H,1-5,15H2,(H,17,18);1H/t13-;/m1./s1
InChIKeyVYRZUANLQZIUSN-BTQNPOSSSA-N
MW285.77 g/mol
LogP3.09
Rot. Bonds3

About 5-[(R)-amino(cyclohexyl)methyl]-2-hydroxybenzoic acid;hydrochloride

5-[(R)-amino(cyclohexyl)methyl]-2-hydroxybenzoic acid;hydrochloride (PubChem CID 171211702) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 5-[(R)-amino(cyclohexyl)methyl]-2-hydroxybenzoic acid;hydrochloride.

Molecular Properties

Compound Name5-[(R)-amino(cyclohexyl)methyl]-2-hydroxybenzoic acid;hydrochloride
PubChem CID171211702
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name5-[(R)-amino(cyclohexyl)methyl]-2-hydroxybenzoic acid;hydrochloride
SMILESCl.N[C@@H](c1ccc(O)c(C(=O)O)c1)C1CCCCC1
InChIInChI=1S/C14H19NO3.ClH/c15-13(9-4-2-1-3-5-9)10-6-7-12(16)11(8-10)14(17)18;/h6-9,13,16H,1-5,15H2,(H,17,18);1H/t13-;/m1./s1
InChIKeyVYRZUANLQZIUSN-BTQNPOSSSA-N
XLogP3.09
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[amino(cyclohexyl)methyl]phenol
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Frequently Asked Questions

What is the IUPAC name of 5-[(R)-amino(cyclohexyl)methyl]-2-hydroxybenzoic acid;hydrochloride?
The IUPAC name of 5-[(R)-amino(cyclohexyl)methyl]-2-hydroxybenzoic acid;hydrochloride (CID 171211702) is 5-[(R)-amino(cyclohexyl)methyl]-2-hydroxybenzoic acid;hydrochloride.
What is the SMILES notation for 5-[(R)-amino(cyclohexyl)methyl]-2-hydroxybenzoic acid;hydrochloride?
The canonical SMILES for 5-[(R)-amino(cyclohexyl)methyl]-2-hydroxybenzoic acid;hydrochloride is Cl.N[C@@H](c1ccc(O)c(C(=O)O)c1)C1CCCCC1.
What is the InChIKey of 5-[(R)-amino(cyclohexyl)methyl]-2-hydroxybenzoic acid;hydrochloride?
The InChIKey is VYRZUANLQZIUSN-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H19NO3.ClH/c15-13(9-4-2-1-3-5-9)10-6-7-12(16)11(8-10)14(17)18;/h6-9,13,16H,1-5,15H2,(H,17,18);1H/t13-;/m1./s1.
What are the key properties of 5-[(R)-amino(cyclohexyl)methyl]-2-hydroxybenzoic acid;hydrochloride?
5-[(R)-amino(cyclohexyl)methyl]-2-hydroxybenzoic acid;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(R)-amino(cyclohexyl)methyl]-2-hydroxybenzoic acid;hydrochloride is sourced from PubChem (CID 171211702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).