2-azido-3-hydroxypropanoic acid

C3H5N3O3 — CID 54415353

IUPAC2-azido-3-hydroxypropanoic acid
SMILES[N-]=[N+]=NC(CO)C(=O)O
InChIInChI=1S/C3H5N3O3/c4-6-5-2(1-7)3(8)9/h2,7H,1H2,(H,8,9)
InChIKeyVXAGJYXIHQKJIP-UHFFFAOYSA-N
MW131.09 g/mol
LogP-0.26
Rot. Bonds3

About 2-azido-3-hydroxypropanoic acid

2-azido-3-hydroxypropanoic acid (PubChem CID 54415353) has the molecular formula C3H5N3O3 and a molecular weight of 131.09 g/mol. Its IUPAC name is 2-azido-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-azido-3-hydroxypropanoic acid
PubChem CID54415353
Molecular FormulaC3H5N3O3
Molecular Weight131.09 g/mol
Exact Mass131.03
IUPAC Name2-azido-3-hydroxypropanoic acid
SMILES[N-]=[N+]=NC(CO)C(=O)O
InChIInChI=1S/C3H5N3O3/c4-6-5-2(1-7)3(8)9/h2,7H,1H2,(H,8,9)
InChIKeyVXAGJYXIHQKJIP-UHFFFAOYSA-N
XLogP-0.26
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.09
LogP ≤ 5-0.26
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)-3-amino-2-azidopropanoic acid
CID 11579126
2-azidopent-4-enoic acid
CID 77132005
(2S)-2-azidoheptanoic acid
CID 122577491
(2S)-2,6-diazidohexanoic acid
CID 101430733
(2R)-2-azido-6-bromohexanoic acid
CID 11064392
2-azido-3,4-dihydroxybutanoic acid
CID 122531609
(Z,2R,7R)-7-amino-2-azido-8-hydroxyoct-5-enoic acid
CID 10822509
(2S)-2-azido-7-bromoheptanoic acid
CID 11010362
(2R)-2-azido-4-diethoxyphosphorylbutanoic acid
CID 101406077
(2S)-2-azido-3-(4-fluorophenyl)propanoic acid
CID 59552594
(2S,4R)-2-azido-1,4,5-trihydroxyoct-7-en-3-one
CID 91278766
sodium;(2S)-2-azido-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;azide
CID 157049531

Frequently Asked Questions

What is the IUPAC name of 2-azido-3-hydroxypropanoic acid?
The IUPAC name of 2-azido-3-hydroxypropanoic acid (CID 54415353) is 2-azido-3-hydroxypropanoic acid.
What is the SMILES notation for 2-azido-3-hydroxypropanoic acid?
The canonical SMILES for 2-azido-3-hydroxypropanoic acid is [N-]=[N+]=NC(CO)C(=O)O.
What is the InChIKey of 2-azido-3-hydroxypropanoic acid?
The InChIKey is VXAGJYXIHQKJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O3/c4-6-5-2(1-7)3(8)9/h2,7H,1H2,(H,8,9).
What are the key properties of 2-azido-3-hydroxypropanoic acid?
2-azido-3-hydroxypropanoic acid has a molecular weight of 131.09 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-3-hydroxypropanoic acid is sourced from PubChem (CID 54415353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).