(2R)-3-azido-2-methylpropanoic acid

C4H7N3O2 — CID 13116883

IUPAC(2R)-3-azido-2-methylpropanoic acid
SMILESC[C@H](CN=[N+]=[N-])C(=O)O
InChIInChI=1S/C4H7N3O2/c1-3(4(8)9)2-6-7-5/h3H,2H2,1H3,(H,8,9)/t3-/m1/s1
InChIKeyMSETUITVEZUPHK-GSVOUGTGSA-N
MW129.12 g/mol
LogP1.02
Rot. Bonds3

About (2R)-3-azido-2-methylpropanoic acid

(2R)-3-azido-2-methylpropanoic acid (PubChem CID 13116883) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is (2R)-3-azido-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-azido-2-methylpropanoic acid
PubChem CID13116883
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name(2R)-3-azido-2-methylpropanoic acid
SMILESC[C@H](CN=[N+]=[N-])C(=O)O
InChIInChI=1S/C4H7N3O2/c1-3(4(8)9)2-6-7-5/h3H,2H2,1H3,(H,8,9)/t3-/m1/s1
InChIKeyMSETUITVEZUPHK-GSVOUGTGSA-N
XLogP1.02
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (2R)-3-azido-2-methylpropanoic acid?
The IUPAC name of (2R)-3-azido-2-methylpropanoic acid (CID 13116883) is (2R)-3-azido-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-azido-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-azido-2-methylpropanoic acid is C[C@H](CN=[N+]=[N-])C(=O)O.
What is the InChIKey of (2R)-3-azido-2-methylpropanoic acid?
The InChIKey is MSETUITVEZUPHK-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H7N3O2/c1-3(4(8)9)2-6-7-5/h3H,2H2,1H3,(H,8,9)/t3-/m1/s1.
What are the key properties of (2R)-3-azido-2-methylpropanoic acid?
(2R)-3-azido-2-methylpropanoic acid has a molecular weight of 129.12 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-azido-2-methylpropanoic acid is sourced from PubChem (CID 13116883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).