(3R)-3-azaniumyl-3-phenylpropanoate

C9H11NO2 — CID 6921434

IUPAC(3R)-3-azaniumyl-3-phenylpropanoate
SMILES[NH3+][C@H](CC(=O)[O-])c1ccccc1
InChIInChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1
InChIKeyUJOYFRCOTPUKAK-MRVPVSSYSA-N
MW165.19 g/mol
LogP-0.89
Rot. Bonds3

About (3R)-3-azaniumyl-3-phenylpropanoate

(3R)-3-azaniumyl-3-phenylpropanoate (PubChem CID 6921434) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (3R)-3-azaniumyl-3-phenylpropanoate.

Molecular Properties

Compound Name(3R)-3-azaniumyl-3-phenylpropanoate
PubChem CID6921434
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(3R)-3-azaniumyl-3-phenylpropanoate
SMILES[NH3+][C@H](CC(=O)[O-])c1ccccc1
InChIInChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1
InChIKeyUJOYFRCOTPUKAK-MRVPVSSYSA-N
XLogP-0.89
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-3-azaniumyl-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-azaniumyl-3-phenylpropanoate?
The IUPAC name of (3R)-3-azaniumyl-3-phenylpropanoate (CID 6921434) is (3R)-3-azaniumyl-3-phenylpropanoate.
What is the SMILES notation for (3R)-3-azaniumyl-3-phenylpropanoate?
The canonical SMILES for (3R)-3-azaniumyl-3-phenylpropanoate is [NH3+][C@H](CC(=O)[O-])c1ccccc1.
What is the InChIKey of (3R)-3-azaniumyl-3-phenylpropanoate?
The InChIKey is UJOYFRCOTPUKAK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1.
What are the key properties of (3R)-3-azaniumyl-3-phenylpropanoate?
(3R)-3-azaniumyl-3-phenylpropanoate has a molecular weight of 165.19 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-azaniumyl-3-phenylpropanoate is sourced from PubChem (CID 6921434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).