2-amino-3-(3-azidophenyl)-3-hydroxypropanoic acid

C9H10N4O3 — CID 57245250

IUPAC2-amino-3-(3-azidophenyl)-3-hydroxypropanoic acid
SMILES[N-]=[N+]=Nc1cccc(C(O)C(N)C(=O)O)c1
InChIInChI=1S/C9H10N4O3/c10-7(9(15)16)8(14)5-2-1-3-6(4-5)12-13-11/h1-4,7-8,14H,10H2,(H,15,16)
InChIKeyQBBFLJAJPGXLGM-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.07
Rot. Bonds4

About 2-amino-3-(3-azidophenyl)-3-hydroxypropanoic acid

2-amino-3-(3-azidophenyl)-3-hydroxypropanoic acid (PubChem CID 57245250) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-amino-3-(3-azidophenyl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-azidophenyl)-3-hydroxypropanoic acid
PubChem CID57245250
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name2-amino-3-(3-azidophenyl)-3-hydroxypropanoic acid
SMILES[N-]=[N+]=Nc1cccc(C(O)C(N)C(=O)O)c1
InChIInChI=1S/C9H10N4O3/c10-7(9(15)16)8(14)5-2-1-3-6(4-5)12-13-11/h1-4,7-8,14H,10H2,(H,15,16)
InChIKeyQBBFLJAJPGXLGM-UHFFFAOYSA-N
XLogP1.07
TPSA132.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 66205536
(2S)-2-amino-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 174944828
2-amino-3-hydroxy-3-phenylpropanoic acid
CID 66621998
1-(3-azidophenyl)-4-(methylamino)butane-1,2-diol
CID 171890356
(3R)-2-amino-3-azido-3-phenylpropanoic acid
CID 143087453
2-amino-3-(3-ethoxyphenyl)-3-hydroxypropanoic acid
CID 66204925
2-amino-3-hydroxy-3-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 107104802
2-(3-azidophenyl)acetamide
CID 12836490
tert-butyl N-[1-(3-azidophenyl)ethyl]carbamate
CID 169326167
2-amino-3-hydroxy-3-(4-phenylphenyl)propanoic acid
CID 66207160
sodium;(2S,3S)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid;hydride
CID 173371497
ethyl 5-(3-azidophenyl)-2-phenylpentanoate
CID 53238119

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-azidophenyl)-3-hydroxypropanoic acid?
The IUPAC name of 2-amino-3-(3-azidophenyl)-3-hydroxypropanoic acid (CID 57245250) is 2-amino-3-(3-azidophenyl)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-amino-3-(3-azidophenyl)-3-hydroxypropanoic acid?
The canonical SMILES for 2-amino-3-(3-azidophenyl)-3-hydroxypropanoic acid is [N-]=[N+]=Nc1cccc(C(O)C(N)C(=O)O)c1.
What is the InChIKey of 2-amino-3-(3-azidophenyl)-3-hydroxypropanoic acid?
The InChIKey is QBBFLJAJPGXLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c10-7(9(15)16)8(14)5-2-1-3-6(4-5)12-13-11/h1-4,7-8,14H,10H2,(H,15,16).
What are the key properties of 2-amino-3-(3-azidophenyl)-3-hydroxypropanoic acid?
2-amino-3-(3-azidophenyl)-3-hydroxypropanoic acid has a molecular weight of 222.20 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-azidophenyl)-3-hydroxypropanoic acid is sourced from PubChem (CID 57245250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).