(3S)-1-(2-amino-6-chlorophenyl)pyrrolidin-3-ol

C10H13ClN2O — CID 86323226

IUPAC(3S)-1-(2-amino-6-chlorophenyl)pyrrolidin-3-ol
SMILESNc1cccc(Cl)c1N1CC[C@H](O)C1
InChIInChI=1S/C10H13ClN2O/c11-8-2-1-3-9(12)10(8)13-5-4-7(14)6-13/h1-3,7,14H,4-6,12H2/t7-/m0/s1
InChIKeyLCLKHRIVEVLKNL-ZETCQYMHSA-N
MW212.68 g/mol
LogP1.49
Rot. Bonds1

About (3S)-1-(2-amino-6-chlorophenyl)pyrrolidin-3-ol

(3S)-1-(2-amino-6-chlorophenyl)pyrrolidin-3-ol (PubChem CID 86323226) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is (3S)-1-(2-amino-6-chlorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2-amino-6-chlorophenyl)pyrrolidin-3-ol
PubChem CID86323226
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name(3S)-1-(2-amino-6-chlorophenyl)pyrrolidin-3-ol
SMILESNc1cccc(Cl)c1N1CC[C@H](O)C1
InChIInChI=1S/C10H13ClN2O/c11-8-2-1-3-9(12)10(8)13-5-4-7(14)6-13/h1-3,7,14H,4-6,12H2/t7-/m0/s1
InChIKeyLCLKHRIVEVLKNL-ZETCQYMHSA-N
XLogP1.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-amino-6-chlorophenyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(2-amino-6-chlorophenyl)pyrrolidin-3-ol (CID 86323226) is (3S)-1-(2-amino-6-chlorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(2-amino-6-chlorophenyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(2-amino-6-chlorophenyl)pyrrolidin-3-ol is Nc1cccc(Cl)c1N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-(2-amino-6-chlorophenyl)pyrrolidin-3-ol?
The InChIKey is LCLKHRIVEVLKNL-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-8-2-1-3-9(12)10(8)13-5-4-7(14)6-13/h1-3,7,14H,4-6,12H2/t7-/m0/s1.
What are the key properties of (3S)-1-(2-amino-6-chlorophenyl)pyrrolidin-3-ol?
(3S)-1-(2-amino-6-chlorophenyl)pyrrolidin-3-ol has a molecular weight of 212.68 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-amino-6-chlorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 86323226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).