(2S)-2-amino-4-(2-azidophenyl)butanoic acid

C10H12N4O2 — CID 172530036

IUPAC(2S)-2-amino-4-(2-azidophenyl)butanoic acid
SMILES[N-]=[N+]=Nc1ccccc1CC[C@H](N)C(=O)O
InChIInChI=1S/C10H12N4O2/c11-8(10(15)16)6-5-7-3-1-2-4-9(7)13-14-12/h1-4,8H,5-6,11H2,(H,15,16)/t8-/m0/s1
InChIKeyGKJWCXXAPRFKRG-QMMMGPOBSA-N
MW220.23 g/mol
LogP1.97
Rot. Bonds5

About (2S)-2-amino-4-(2-azidophenyl)butanoic acid

(2S)-2-amino-4-(2-azidophenyl)butanoic acid (PubChem CID 172530036) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is (2S)-2-amino-4-(2-azidophenyl)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(2-azidophenyl)butanoic acid
PubChem CID172530036
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name(2S)-2-amino-4-(2-azidophenyl)butanoic acid
SMILES[N-]=[N+]=Nc1ccccc1CC[C@H](N)C(=O)O
InChIInChI=1S/C10H12N4O2/c11-8(10(15)16)6-5-7-3-1-2-4-9(7)13-14-12/h1-4,8H,5-6,11H2,(H,15,16)/t8-/m0/s1
InChIKeyGKJWCXXAPRFKRG-QMMMGPOBSA-N
XLogP1.97
TPSA112.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.97
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

(2S)-2-amino-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid
CID 89499050
(2S)-2-amino-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid;hydrochloride
CID 122705997
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
2-amino-4-[2-[amino(phosphono)methyl]phenyl]butanoic acid
CID 57074206
(2-azidophenyl)methanamine
CID 10997194
(2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid
CID 169024941
(2S)-2-amino-4-(1H-indol-3-yl)butanoic acid;hydrate
CID 140978088
2-amino-4-(1H-indol-4-yl)butanoic acid
CID 69406659
2-amino-5-(2-bromophenyl)pentanoic acid
CID 83664407
2-amino-7-(4-azidophenyl)-7-oxoheptanoic acid
CID 150421848
1-azido-2-(3-benzylsulfanylpropyl)benzene
CID 10493251
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-4-phenylbutanoic acid
CID 138596629

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(2-azidophenyl)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(2-azidophenyl)butanoic acid (CID 172530036) is (2S)-2-amino-4-(2-azidophenyl)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(2-azidophenyl)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(2-azidophenyl)butanoic acid is [N-]=[N+]=Nc1ccccc1CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(2-azidophenyl)butanoic acid?
The InChIKey is GKJWCXXAPRFKRG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-8(10(15)16)6-5-7-3-1-2-4-9(7)13-14-12/h1-4,8H,5-6,11H2,(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-4-(2-azidophenyl)butanoic acid?
(2S)-2-amino-4-(2-azidophenyl)butanoic acid has a molecular weight of 220.23 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(2-azidophenyl)butanoic acid is sourced from PubChem (CID 172530036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).