(2R)-2-azaniumyl-5-phenylpentanoate

C11H15NO2 — CID 6993755

IUPAC(2R)-2-azaniumyl-5-phenylpentanoate
SMILES[NH3+][C@H](CCCc1ccccc1)C(=O)[O-]
InChIInChI=1S/C11H15NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,14)/t10-/m1/s1
InChIKeyXOQZTHUXZWQXOK-SNVBAGLBSA-N
MW193.25 g/mol
LogP-0.63
Rot. Bonds5

About (2R)-2-azaniumyl-5-phenylpentanoate

(2R)-2-azaniumyl-5-phenylpentanoate (PubChem CID 6993755) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2R)-2-azaniumyl-5-phenylpentanoate.

Molecular Properties

Compound Name(2R)-2-azaniumyl-5-phenylpentanoate
PubChem CID6993755
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2R)-2-azaniumyl-5-phenylpentanoate
SMILES[NH3+][C@H](CCCc1ccccc1)C(=O)[O-]
InChIInChI=1S/C11H15NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,14)/t10-/m1/s1
InChIKeyXOQZTHUXZWQXOK-SNVBAGLBSA-N
XLogP-0.63
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-azaniumyl-5-phenylpentanoate with MolForge

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

Launch Full Analysis

Related Compounds

2-azaniumyl-5-(azaniumylcarbonylamino)pentanoate;carbanide;4-phenylbutanoate;yttrium
CID 161325990
(2S)-2-azaniumyl-3-phenylpropanoate
CID 6925665
2-(2-phenylethyl)propanedioate
CID 21465102
(2R)-2-azaniumyl-4-methylsulfanylbutanoate;(2S)-2-azaniumyl-3-phenylpropanoate
CID 139060676
3-phenylpropylazanium acetate
CID 67633985
lithium 4-phenylbutanoate
CID 50923149
calcium bis(4-phenylbutanoate)
CID 11187721
(2S)-2,5-diphenylpentanoic acid
CID 7054365
3-methyl-6-phenylhexan-2-one
CID 59396975
(2S)-2-azaniumyloxy-4-phenylbutanoate;hydrobromide
CID 170845496
diphenyl 2-(3-phenylpropyl)propanedioate
CID 141391929
2-(8-phenyloctyl)propanedioic acid
CID 20544236

Frequently Asked Questions

What is the IUPAC name of (2R)-2-azaniumyl-5-phenylpentanoate?
The IUPAC name of (2R)-2-azaniumyl-5-phenylpentanoate (CID 6993755) is (2R)-2-azaniumyl-5-phenylpentanoate.
What is the SMILES notation for (2R)-2-azaniumyl-5-phenylpentanoate?
The canonical SMILES for (2R)-2-azaniumyl-5-phenylpentanoate is [NH3+][C@H](CCCc1ccccc1)C(=O)[O-].
What is the InChIKey of (2R)-2-azaniumyl-5-phenylpentanoate?
The InChIKey is XOQZTHUXZWQXOK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-2-azaniumyl-5-phenylpentanoate?
(2R)-2-azaniumyl-5-phenylpentanoate has a molecular weight of 193.25 g/mol, XLogP of -0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azaniumyl-5-phenylpentanoate is sourced from PubChem (CID 6993755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).