(2R,3S)-2-amino-4-azido-3-hydroxybutanoate

C4H7N4O3- — CID 135081181

IUPAC(2R,3S)-2-amino-4-azido-3-hydroxybutanoate
SMILES[N-]=[N+]=NC[C@H](O)[C@@H](N)C(=O)[O-]
InChIInChI=1S/C4H8N4O3/c5-3(4(10)11)2(9)1-7-8-6/h2-3,9H,1,5H2,(H,10,11)/p-1/t2-,3+/m0/s1
InChIKeyGALQPZIJMDZEKC-STHAYSLISA-M
MW159.12 g/mol
LogP-2.27
Rot. Bonds4

About (2R,3S)-2-amino-4-azido-3-hydroxybutanoate

(2R,3S)-2-amino-4-azido-3-hydroxybutanoate (PubChem CID 135081181) has the molecular formula C4H7N4O3- and a molecular weight of 159.12 g/mol. Its IUPAC name is (2R,3S)-2-amino-4-azido-3-hydroxybutanoate.

Molecular Properties

Compound Name(2R,3S)-2-amino-4-azido-3-hydroxybutanoate
PubChem CID135081181
Molecular FormulaC4H7N4O3-
Molecular Weight159.12 g/mol
Exact Mass159.05
IUPAC Name(2R,3S)-2-amino-4-azido-3-hydroxybutanoate
SMILES[N-]=[N+]=NC[C@H](O)[C@@H](N)C(=O)[O-]
InChIInChI=1S/C4H8N4O3/c5-3(4(10)11)2(9)1-7-8-6/h2-3,9H,1,5H2,(H,10,11)/p-1/t2-,3+/m0/s1
InChIKeyGALQPZIJMDZEKC-STHAYSLISA-M
XLogP-2.27
TPSA135.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 5-2.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(6-azido-3,4,5-trihydroxy-2-oxohexyl)phosphonic acid
CID 154070621
(2S,3S)-2-amino-4-azido-3-methylbutanoic acid
CID 162717706
[(2S)-4-azido-3-hydroxybutan-2-yl]carbamic acid
CID 118525657
ethyl 3-azido-2-hydroxypropanoate
CID 10888191
2-amino-3-hydroxy-4-phosphonooxybutanoate
CID 1006
1-amino-3-azidopropan-2-ol
CID 150484023
1-azido-3-methylpentan-2-ol
CID 116691796
disodium;2,3-diaminobutanedioate
CID 87704477
ethyl (3S)-4-azido-3-hydroxybutanoate
CID 10888398
ethyl 4-azido-3-hydroxybutanoate
CID 14685344
(2S,3R)-4-amino-1-azido-5-cyclohexylpentane-2,3-diol
CID 58964071
(2R,3S,4S,5R)-6-azido-5-hydroxy-2,3,4-trimethoxyhexanoic acid
CID 101153114

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-4-azido-3-hydroxybutanoate?
The IUPAC name of (2R,3S)-2-amino-4-azido-3-hydroxybutanoate (CID 135081181) is (2R,3S)-2-amino-4-azido-3-hydroxybutanoate.
What is the SMILES notation for (2R,3S)-2-amino-4-azido-3-hydroxybutanoate?
The canonical SMILES for (2R,3S)-2-amino-4-azido-3-hydroxybutanoate is [N-]=[N+]=NC[C@H](O)[C@@H](N)C(=O)[O-].
What is the InChIKey of (2R,3S)-2-amino-4-azido-3-hydroxybutanoate?
The InChIKey is GALQPZIJMDZEKC-STHAYSLISA-M. The full InChI is InChI=1S/C4H8N4O3/c5-3(4(10)11)2(9)1-7-8-6/h2-3,9H,1,5H2,(H,10,11)/p-1/t2-,3+/m0/s1.
What are the key properties of (2R,3S)-2-amino-4-azido-3-hydroxybutanoate?
(2R,3S)-2-amino-4-azido-3-hydroxybutanoate has a molecular weight of 159.12 g/mol, XLogP of -2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-4-azido-3-hydroxybutanoate is sourced from PubChem (CID 135081181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).