(2S)-2-azido-3,3-dimethylbutanamide

C6H12N4O — CID 151787288

IUPAC(2S)-2-azido-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N=[N+]=[N-])C(N)=O
InChIInChI=1S/C6H12N4O/c1-6(2,3)4(5(7)11)9-10-8/h4H,1-3H3,(H2,7,11)/t4-/m1/s1
InChIKeyRVWNVMJOUSUQKK-SCSAIBSYSA-N
MW156.19 g/mol
LogP1.20
Rot. Bonds2

About (2S)-2-azido-3,3-dimethylbutanamide

(2S)-2-azido-3,3-dimethylbutanamide (PubChem CID 151787288) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is (2S)-2-azido-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-azido-3,3-dimethylbutanamide
PubChem CID151787288
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name(2S)-2-azido-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@H](N=[N+]=[N-])C(N)=O
InChIInChI=1S/C6H12N4O/c1-6(2,3)4(5(7)11)9-10-8/h4H,1-3H3,(H2,7,11)/t4-/m1/s1
InChIKeyRVWNVMJOUSUQKK-SCSAIBSYSA-N
XLogP1.20
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 51.20
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 (2S)-2-azido-3,3-dimethylbutanamide?
The IUPAC name of (2S)-2-azido-3,3-dimethylbutanamide (CID 151787288) is (2S)-2-azido-3,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-azido-3,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-azido-3,3-dimethylbutanamide is CC(C)(C)[C@H](N=[N+]=[N-])C(N)=O.
What is the InChIKey of (2S)-2-azido-3,3-dimethylbutanamide?
The InChIKey is RVWNVMJOUSUQKK-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-6(2,3)4(5(7)11)9-10-8/h4H,1-3H3,(H2,7,11)/t4-/m1/s1.
What are the key properties of (2S)-2-azido-3,3-dimethylbutanamide?
(2S)-2-azido-3,3-dimethylbutanamide has a molecular weight of 156.19 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-azido-3,3-dimethylbutanamide is sourced from PubChem (CID 151787288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).