1-(2-amino-5-chlorophenyl)pyrrolidine-3,4-diol

C10H13ClN2O2 — CID 106667619

IUPAC1-(2-amino-5-chlorophenyl)pyrrolidine-3,4-diol
SMILESNc1ccc(Cl)cc1N1CC(O)C(O)C1
InChIInChI=1S/C10H13ClN2O2/c11-6-1-2-7(12)8(3-6)13-4-9(14)10(15)5-13/h1-3,9-10,14-15H,4-5,12H2
InChIKeyIDNZRZWNOMDTJF-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.46
Rot. Bonds1

About 1-(2-amino-5-chlorophenyl)pyrrolidine-3,4-diol

1-(2-amino-5-chlorophenyl)pyrrolidine-3,4-diol (PubChem CID 106667619) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 1-(2-amino-5-chlorophenyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(2-amino-5-chlorophenyl)pyrrolidine-3,4-diol
PubChem CID106667619
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name1-(2-amino-5-chlorophenyl)pyrrolidine-3,4-diol
SMILESNc1ccc(Cl)cc1N1CC(O)C(O)C1
InChIInChI=1S/C10H13ClN2O2/c11-6-1-2-7(12)8(3-6)13-4-9(14)10(15)5-13/h1-3,9-10,14-15H,4-5,12H2
InChIKeyIDNZRZWNOMDTJF-UHFFFAOYSA-N
XLogP0.46
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline
CID 115469103
4-chloro-2-pyrrolidin-1-ylaniline
CID 58812033
2-(azepan-1-yl)-4-chloroaniline
CID 79688976
4-chloro-2-(3,3-dimethylazetidin-1-yl)aniline
CID 79688977
4-chloro-2-[(3R)-3-methylpiperazin-1-yl]aniline
CID 21034047
4-chloro-2-(2-methylmorpholin-4-yl)aniline
CID 115468437
(3S,4R)-1-(4-chlorophenyl)pyrrolidine-3,4-diol
CID 95562583
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-chloroaniline
CID 113315828
4-(2-amino-5-chlorophenyl)piperazine-2,6-dione
CID 115469095
1-[2-[(tert-butylamino)methyl]-5-chlorophenyl]pyrrolidine-3,4-diol
CID 106670521
1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673359
4-chloro-2-(3-hydroxyazetidin-1-yl)benzaldehyde
CID 130906304

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chlorophenyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(2-amino-5-chlorophenyl)pyrrolidine-3,4-diol (CID 106667619) is 1-(2-amino-5-chlorophenyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(2-amino-5-chlorophenyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(2-amino-5-chlorophenyl)pyrrolidine-3,4-diol is Nc1ccc(Cl)cc1N1CC(O)C(O)C1.
What is the InChIKey of 1-(2-amino-5-chlorophenyl)pyrrolidine-3,4-diol?
The InChIKey is IDNZRZWNOMDTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-6-1-2-7(12)8(3-6)13-4-9(14)10(15)5-13/h1-3,9-10,14-15H,4-5,12H2.
What are the key properties of 1-(2-amino-5-chlorophenyl)pyrrolidine-3,4-diol?
1-(2-amino-5-chlorophenyl)pyrrolidine-3,4-diol has a molecular weight of 228.68 g/mol, XLogP of 0.46, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chlorophenyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106667619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).