(2S)-2-amino-3-azidobutanoic acid

C4H8N4O2 — CID 140958168

IUPAC(2S)-2-amino-3-azidobutanoic acid
SMILESCC(N=[N+]=[N-])[C@H](N)C(=O)O
InChIInChI=1S/C4H8N4O2/c1-2(7-8-6)3(5)4(9)10/h2-3H,5H2,1H3,(H,9,10)/t2?,3-/m0/s1
InChIKeyVFSRYBKOKKWXQW-NFJMKROFSA-N
MW144.13 g/mol
LogP0.10
Rot. Bonds3

About (2S)-2-amino-3-azidobutanoic acid

(2S)-2-amino-3-azidobutanoic acid (PubChem CID 140958168) has the molecular formula C4H8N4O2 and a molecular weight of 144.13 g/mol. Its IUPAC name is (2S)-2-amino-3-azidobutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-azidobutanoic acid
PubChem CID140958168
Molecular FormulaC4H8N4O2
Molecular Weight144.13 g/mol
Exact Mass144.06
IUPAC Name(2S)-2-amino-3-azidobutanoic acid
SMILESCC(N=[N+]=[N-])[C@H](N)C(=O)O
InChIInChI=1S/C4H8N4O2/c1-2(7-8-6)3(5)4(9)10/h2-3H,5H2,1H3,(H,9,10)/t2?,3-/m0/s1
InChIKeyVFSRYBKOKKWXQW-NFJMKROFSA-N
XLogP0.10
TPSA112.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.10
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

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CID 151456809
2-azidopropanoic acid
CID 14720889
(3R)-2-amino-3-azido-3-phenylpropanoic acid
CID 143087453
(2S,3S)-2-amino-4-azido-3-methylbutanoic acid
CID 162717706
(2R)-2,6-diamino-3-azidohexanoic acid
CID 140570098
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
tert-butyl (2R,3S)-3-azido-2-hydroxybutanoate
CID 10655692
(2S,3S)-2-(1-adamantyl)-3-azidobutanoic acid
CID 102455819
(2R,3R)-2,3-diaminobutanoic acid;dihydrochloride
CID 71463685
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
2-amino-3-methylbutanoic acid;vanadium
CID 175123177

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-azidobutanoic acid?
The IUPAC name of (2S)-2-amino-3-azidobutanoic acid (CID 140958168) is (2S)-2-amino-3-azidobutanoic acid.
What is the SMILES notation for (2S)-2-amino-3-azidobutanoic acid?
The canonical SMILES for (2S)-2-amino-3-azidobutanoic acid is CC(N=[N+]=[N-])[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-azidobutanoic acid?
The InChIKey is VFSRYBKOKKWXQW-NFJMKROFSA-N. The full InChI is InChI=1S/C4H8N4O2/c1-2(7-8-6)3(5)4(9)10/h2-3H,5H2,1H3,(H,9,10)/t2?,3-/m0/s1.
What are the key properties of (2S)-2-amino-3-azidobutanoic acid?
(2S)-2-amino-3-azidobutanoic acid has a molecular weight of 144.13 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-azidobutanoic acid is sourced from PubChem (CID 140958168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).