(2S,3S)-3-azaniumyl-2-hydroxy-4-phenylbutanoate

C10H13NO3 — CID 41097833

IUPAC(2S,3S)-3-azaniumyl-2-hydroxy-4-phenylbutanoate
SMILES[NH3+][C@@H](Cc1ccccc1)[C@H](O)C(=O)[O-]
InChIInChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9-/m0/s1
InChIKeyLDSJMFGYNFIFRK-IUCAKERBSA-N
MW195.22 g/mol
LogP-2.05
Rot. Bonds4

About (2S,3S)-3-azaniumyl-2-hydroxy-4-phenylbutanoate

(2S,3S)-3-azaniumyl-2-hydroxy-4-phenylbutanoate (PubChem CID 41097833) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2S,3S)-3-azaniumyl-2-hydroxy-4-phenylbutanoate.

Molecular Properties

Compound Name(2S,3S)-3-azaniumyl-2-hydroxy-4-phenylbutanoate
PubChem CID41097833
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2S,3S)-3-azaniumyl-2-hydroxy-4-phenylbutanoate
SMILES[NH3+][C@@H](Cc1ccccc1)[C@H](O)C(=O)[O-]
InChIInChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9-/m0/s1
InChIKeyLDSJMFGYNFIFRK-IUCAKERBSA-N
XLogP-2.05
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-2.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-3-azaniumyl-2-hydroxy-4-phenylbutanoate 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

(2S)-2-azaniumyl-3-phenylpropanoate
CID 6925665
disodium;2-benzylpropanedioate
CID 141289309
[(2S)-1-hydroxy-1-methoxy-3-phenylpropan-2-yl]azanium;2,2,2-trifluoroacetate
CID 11220142
(2R)-2-[[(1S)-1-carboxylato-2-phenylethyl]-hydroxyphosphoryl]-3-phenylpropanoate
CID 8022878
2-hydroxy-3-phenylpropanoate;tetramethylazanium
CID 19018133
potassium 2-amino-3-phenylpropanoate
CID 23692488
(2S)-2,3-diphenylpropanoate
CID 6993748
copper bis((2S)-2-amino-3-phenylpropanoate)
CID 12989540
(2S,3R)-2,3-dihydroxy-4-phenylbutanoic acid
CID 123932531
(2S)-2-(dihydroxyamino)-3-phenylpropanoate
CID 46878439
(2S,3R)-2-benzyl-3-hydroxybutanedioic acid
CID 10944089
(2S)-2-(methylazaniumyl)-3-phenylpropanoate
CID 6951134

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-azaniumyl-2-hydroxy-4-phenylbutanoate?
The IUPAC name of (2S,3S)-3-azaniumyl-2-hydroxy-4-phenylbutanoate (CID 41097833) is (2S,3S)-3-azaniumyl-2-hydroxy-4-phenylbutanoate.
What is the SMILES notation for (2S,3S)-3-azaniumyl-2-hydroxy-4-phenylbutanoate?
The canonical SMILES for (2S,3S)-3-azaniumyl-2-hydroxy-4-phenylbutanoate is [NH3+][C@@H](Cc1ccccc1)[C@H](O)C(=O)[O-].
What is the InChIKey of (2S,3S)-3-azaniumyl-2-hydroxy-4-phenylbutanoate?
The InChIKey is LDSJMFGYNFIFRK-IUCAKERBSA-N. The full InChI is InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-3-azaniumyl-2-hydroxy-4-phenylbutanoate?
(2S,3S)-3-azaniumyl-2-hydroxy-4-phenylbutanoate has a molecular weight of 195.22 g/mol, XLogP of -2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-azaniumyl-2-hydroxy-4-phenylbutanoate is sourced from PubChem (CID 41097833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).