(2S)-2-amino-3-[4-[4-(hydroxycarbamoyl)phenoxy]phenyl]propanoic acid

C16H16N2O5 — CID 59838532

IUPAC(2S)-2-amino-3-[4-[4-(hydroxycarbamoyl)phenoxy]phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(Oc2ccc(C(=O)NO)cc2)cc1)C(=O)O
InChIInChI=1S/C16H16N2O5/c17-14(16(20)21)9-10-1-5-12(6-2-10)23-13-7-3-11(4-8-13)15(19)18-22/h1-8,14,22H,9,17H2,(H,18,19)(H,20,21)/t14-/m0/s1
InChIKeyZEPDOJTZXWEQMO-AWEZNQCLSA-N
MW316.31 g/mol
LogP1.55
Rot. Bonds6

About (2S)-2-amino-3-[4-[4-(hydroxycarbamoyl)phenoxy]phenyl]propanoic acid

(2S)-2-amino-3-[4-[4-(hydroxycarbamoyl)phenoxy]phenyl]propanoic acid (PubChem CID 59838532) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-[4-(hydroxycarbamoyl)phenoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-[4-(hydroxycarbamoyl)phenoxy]phenyl]propanoic acid
PubChem CID59838532
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name(2S)-2-amino-3-[4-[4-(hydroxycarbamoyl)phenoxy]phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(Oc2ccc(C(=O)NO)cc2)cc1)C(=O)O
InChIInChI=1S/C16H16N2O5/c17-14(16(20)21)9-10-1-5-12(6-2-10)23-13-7-3-11(4-8-13)15(19)18-22/h1-8,14,22H,9,17H2,(H,18,19)(H,20,21)/t14-/m0/s1
InChIKeyZEPDOJTZXWEQMO-AWEZNQCLSA-N
XLogP1.55
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-amino-3-[4-[4-(hydroxycarbamoyl)phenoxy]phenyl]propanoic acid 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 (2S)-2-amino-3-[4-[4-(hydroxycarbamoyl)phenoxy]phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-[4-(hydroxycarbamoyl)phenoxy]phenyl]propanoic acid (CID 59838532) is (2S)-2-amino-3-[4-[4-(hydroxycarbamoyl)phenoxy]phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-[4-(hydroxycarbamoyl)phenoxy]phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-[4-(hydroxycarbamoyl)phenoxy]phenyl]propanoic acid is N[C@@H](Cc1ccc(Oc2ccc(C(=O)NO)cc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[4-[4-(hydroxycarbamoyl)phenoxy]phenyl]propanoic acid?
The InChIKey is ZEPDOJTZXWEQMO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16N2O5/c17-14(16(20)21)9-10-1-5-12(6-2-10)23-13-7-3-11(4-8-13)15(19)18-22/h1-8,14,22H,9,17H2,(H,18,19)(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-[4-(hydroxycarbamoyl)phenoxy]phenyl]propanoic acid?
(2S)-2-amino-3-[4-[4-(hydroxycarbamoyl)phenoxy]phenyl]propanoic acid has a molecular weight of 316.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-[4-(hydroxycarbamoyl)phenoxy]phenyl]propanoic acid is sourced from PubChem (CID 59838532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).