4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride

C10H14ClNO2 — CID 171198097

IUPAC4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride
SMILESCl.N[C@@H](c1ccc(O)c(O)c1)C1CC1
InChIInChI=1S/C10H13NO2.ClH/c11-10(6-1-2-6)7-3-4-8(12)9(13)5-7;/h3-6,10,12-13H,1-2,11H2;1H/t10-;/m1./s1
InChIKeyFSJPVQRDHAIDIL-HNCPQSOCSA-N
MW215.68 g/mol
LogP1.93
Rot. Bonds2

About 4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride

4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride (PubChem CID 171198097) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride.

Molecular Properties

Compound Name4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride
PubChem CID171198097
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride
SMILESCl.N[C@@H](c1ccc(O)c(O)c1)C1CC1
InChIInChI=1S/C10H13NO2.ClH/c11-10(6-1-2-6)7-3-4-8(12)9(13)5-7;/h3-6,10,12-13H,1-2,11H2;1H/t10-;/m1./s1
InChIKeyFSJPVQRDHAIDIL-HNCPQSOCSA-N
XLogP1.93
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol
CID 131343814
4-[(R)-amino(cyclopropyl)methyl]-2-fluorophenol
CID 55254203
5-[(R)-amino(cyclopropyl)methyl]-2-methoxyphenol
CID 55254634
4-[(R)-amino(cyclopentyl)methyl]-2-methylphenol;hydrochloride
CID 171213118
4-[(S)-amino(cyclopropyl)methyl]-2-nitrophenol;hydrochloride
CID 171219479
2-amino-5-[amino(cyclobutyl)methyl]phenol
CID 130061977
4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride
CID 171220383
4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol
CID 171200844
(S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride
CID 171229648
5-[(R)-amino(cyclohexyl)methyl]-2-hydroxybenzoic acid;hydrochloride
CID 171211702
4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,2-diol
CID 171160646
4-[(R)-amino(oxan-4-yl)methyl]-2-bromophenol
CID 131552717

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride?
The IUPAC name of 4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride (CID 171198097) is 4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride.
What is the SMILES notation for 4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride?
The canonical SMILES for 4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride is Cl.N[C@@H](c1ccc(O)c(O)c1)C1CC1.
What is the InChIKey of 4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride?
The InChIKey is FSJPVQRDHAIDIL-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c11-10(6-1-2-6)7-3-4-8(12)9(13)5-7;/h3-6,10,12-13H,1-2,11H2;1H/t10-;/m1./s1.
What are the key properties of 4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride?
4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride is sourced from PubChem (CID 171198097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).