2-(dihydroxyamino)-3-phenylpropanoic acid

C9H11NO4 — CID 22141935

IUPAC2-(dihydroxyamino)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)N(O)O
InChIInChI=1S/C9H11NO4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8,13-14H,6H2,(H,11,12)
InChIKeyIDBRDXGJPFCEFF-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.76
Rot. Bonds4

About 2-(dihydroxyamino)-3-phenylpropanoic acid

2-(dihydroxyamino)-3-phenylpropanoic acid (PubChem CID 22141935) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(dihydroxyamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(dihydroxyamino)-3-phenylpropanoic acid
PubChem CID22141935
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-(dihydroxyamino)-3-phenylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1)N(O)O
InChIInChI=1S/C9H11NO4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8,13-14H,6H2,(H,11,12)
InChIKeyIDBRDXGJPFCEFF-UHFFFAOYSA-N
XLogP0.76
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(dihydroxyamino)-3-phenylpropanoic acid 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

CID 160513351
CID 160513351
2-(dihydroxyamino)-3-phenylpropanoic acid;prop-2-enoic acid
CID 174675777
(2S)-2-(dihydroxyamino)-3-phenylpropanoate
CID 46878439
(2S)-2-[bis(sulfanyl)amino]-3-phenylpropanoic acid
CID 88617748
(2S)-2-[chloromethyl(methyl)amino]-3-phenylpropanoic acid
CID 54255696
(2S)-2-[amino(fluoro)amino]-3-phenylpropanoic acid
CID 174662660
(2S)-2-[bis(methylamino)amino]-3-phenylpropanoic acid
CID 156761837
sodium 2-[bis(carboxymethyl)amino]-3-phenylpropanoic acid
CID 20524802
(2S)-2-(N-carboxyanilino)-3-phenylpropanoic acid
CID 151199694
(2R)-2-[benzyl(methyl)amino]-3-phenylpropanoic acid
CID 825996
2-[acetyl(benzyl)amino]-3-phenylpropanoic acid
CID 15325398
(2R)-2-[acetyl(chloro)amino]-3-phenylpropanoic acid
CID 142648792

Frequently Asked Questions

What is the IUPAC name of 2-(dihydroxyamino)-3-phenylpropanoic acid?
The IUPAC name of 2-(dihydroxyamino)-3-phenylpropanoic acid (CID 22141935) is 2-(dihydroxyamino)-3-phenylpropanoic acid.
What is the SMILES notation for 2-(dihydroxyamino)-3-phenylpropanoic acid?
The canonical SMILES for 2-(dihydroxyamino)-3-phenylpropanoic acid is O=C(O)C(Cc1ccccc1)N(O)O.
What is the InChIKey of 2-(dihydroxyamino)-3-phenylpropanoic acid?
The InChIKey is IDBRDXGJPFCEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8,13-14H,6H2,(H,11,12).
What are the key properties of 2-(dihydroxyamino)-3-phenylpropanoic acid?
2-(dihydroxyamino)-3-phenylpropanoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dihydroxyamino)-3-phenylpropanoic acid is sourced from PubChem (CID 22141935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).