(3R)-2-amino-3-azido-3-phenylpropanoic acid

C9H10N4O2 — CID 143087453

IUPAC(3R)-2-amino-3-azido-3-phenylpropanoic acid
SMILES[N-]=[N+]=N[C@H](c1ccccc1)C(N)C(=O)O
InChIInChI=1S/C9H10N4O2/c10-7(9(14)15)8(12-13-11)6-4-2-1-3-5-6/h1-5,7-8H,10H2,(H,14,15)/t7?,8-/m1/s1
InChIKeyWGGIVYROCDVYJX-BRFYHDHCSA-N
MW206.21 g/mol
LogP1.45
Rot. Bonds4

About (3R)-2-amino-3-azido-3-phenylpropanoic acid

(3R)-2-amino-3-azido-3-phenylpropanoic acid (PubChem CID 143087453) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is (3R)-2-amino-3-azido-3-phenylpropanoic acid.

Molecular Properties

Compound Name(3R)-2-amino-3-azido-3-phenylpropanoic acid
PubChem CID143087453
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name(3R)-2-amino-3-azido-3-phenylpropanoic acid
SMILES[N-]=[N+]=N[C@H](c1ccccc1)C(N)C(=O)O
InChIInChI=1S/C9H10N4O2/c10-7(9(14)15)8(12-13-11)6-4-2-1-3-5-6/h1-5,7-8H,10H2,(H,14,15)/t7?,8-/m1/s1
InChIKeyWGGIVYROCDVYJX-BRFYHDHCSA-N
XLogP1.45
TPSA112.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2R)-1-azido-1-phenylpropan-2-amine
CID 118411737
tert-butyl (2R,3S)-3-azido-2-hydroxy-3-phenylpropanoate
CID 10539484
[(1R,2R)-1,2-diazidopropyl]benzene
CID 153288330
(2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid
CID 23234194
(2S)-2-amino-3-azidobutanoic acid
CID 140958168
(2S)-2-azido-2-[4-[(S)-azido(carboxy)methyl]phenyl]acetic acid
CID 54539704
butyl 3-azido-2-hydroxy-3-phenylpropanoate
CID 20606299
2-amino-3-hydroxy-3-phenylpropanoic acid
CID 66621998
azido(phenyl)methanol
CID 59611949
N-[4-[(1R,2S)-2-azido-1-hydroxy-2-phenylethyl]phenyl]acetamide
CID 100913762
2-amino-3-(3-azidophenyl)-3-hydroxypropanoic acid
CID 57245250
(2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid
CID 175734272

Frequently Asked Questions

What is the IUPAC name of (3R)-2-amino-3-azido-3-phenylpropanoic acid?
The IUPAC name of (3R)-2-amino-3-azido-3-phenylpropanoic acid (CID 143087453) is (3R)-2-amino-3-azido-3-phenylpropanoic acid.
What is the SMILES notation for (3R)-2-amino-3-azido-3-phenylpropanoic acid?
The canonical SMILES for (3R)-2-amino-3-azido-3-phenylpropanoic acid is [N-]=[N+]=N[C@H](c1ccccc1)C(N)C(=O)O.
What is the InChIKey of (3R)-2-amino-3-azido-3-phenylpropanoic acid?
The InChIKey is WGGIVYROCDVYJX-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-7(9(14)15)8(12-13-11)6-4-2-1-3-5-6/h1-5,7-8H,10H2,(H,14,15)/t7?,8-/m1/s1.
What are the key properties of (3R)-2-amino-3-azido-3-phenylpropanoic acid?
(3R)-2-amino-3-azido-3-phenylpropanoic acid has a molecular weight of 206.21 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-amino-3-azido-3-phenylpropanoic acid is sourced from PubChem (CID 143087453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).