2-amino-2,3-dihydroxy-3-phenylpropanoic acid

C9H11NO4 — CID 10104160

IUPAC2-amino-2,3-dihydroxy-3-phenylpropanoic acid
SMILESNC(O)(C(=O)O)C(O)c1ccccc1
InChIInChI=1S/C9H11NO4/c10-9(14,8(12)13)7(11)6-4-2-1-3-5-6/h1-5,7,11,14H,10H2,(H,12,13)
InChIKeyQZYCPFUGXQTATP-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.55
Rot. Bonds3

About 2-amino-2,3-dihydroxy-3-phenylpropanoic acid

2-amino-2,3-dihydroxy-3-phenylpropanoic acid (PubChem CID 10104160) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-amino-2,3-dihydroxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-amino-2,3-dihydroxy-3-phenylpropanoic acid
PubChem CID10104160
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-amino-2,3-dihydroxy-3-phenylpropanoic acid
SMILESNC(O)(C(=O)O)C(O)c1ccccc1
InChIInChI=1S/C9H11NO4/c10-9(14,8(12)13)7(11)6-4-2-1-3-5-6/h1-5,7,11,14H,10H2,(H,12,13)
InChIKeyQZYCPFUGXQTATP-UHFFFAOYSA-N
XLogP-0.55
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3-dihydroxy-3-phenylpropanoic acid?
The IUPAC name of 2-amino-2,3-dihydroxy-3-phenylpropanoic acid (CID 10104160) is 2-amino-2,3-dihydroxy-3-phenylpropanoic acid.
What is the SMILES notation for 2-amino-2,3-dihydroxy-3-phenylpropanoic acid?
The canonical SMILES for 2-amino-2,3-dihydroxy-3-phenylpropanoic acid is NC(O)(C(=O)O)C(O)c1ccccc1.
What is the InChIKey of 2-amino-2,3-dihydroxy-3-phenylpropanoic acid?
The InChIKey is QZYCPFUGXQTATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c10-9(14,8(12)13)7(11)6-4-2-1-3-5-6/h1-5,7,11,14H,10H2,(H,12,13).
What are the key properties of 2-amino-2,3-dihydroxy-3-phenylpropanoic acid?
2-amino-2,3-dihydroxy-3-phenylpropanoic acid has a molecular weight of 197.19 g/mol, XLogP of -0.55, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3-dihydroxy-3-phenylpropanoic acid is sourced from PubChem (CID 10104160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).