4-azido-2-ethylbutanoic acid

C6H11N3O2 — CID 131985963

IUPAC4-azido-2-ethylbutanoic acid
SMILESCCC(CCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C6H11N3O2/c1-2-5(6(10)11)3-4-8-9-7/h5H,2-4H2,1H3,(H,10,11)
InChIKeyBOBMOYVQDLSKPG-UHFFFAOYSA-N
MW157.17 g/mol
LogP1.80
Rot. Bonds5

About 4-azido-2-ethylbutanoic acid

4-azido-2-ethylbutanoic acid (PubChem CID 131985963) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 4-azido-2-ethylbutanoic acid.

Molecular Properties

Compound Name4-azido-2-ethylbutanoic acid
PubChem CID131985963
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name4-azido-2-ethylbutanoic acid
SMILESCCC(CCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C6H11N3O2/c1-2-5(6(10)11)3-4-8-9-7/h5H,2-4H2,1H3,(H,10,11)
InChIKeyBOBMOYVQDLSKPG-UHFFFAOYSA-N
XLogP1.80
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.80
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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Related Compounds

2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
4-(1-aminoethylideneamino)-2-ethylbutanoic acid
CID 145476520
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
2-ethylhexanoic acid;hexadecane
CID 174408772
2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
(2R)-2-ethyldodecanoic acid
CID 98093060
ethane;2-ethylbutanoic acid
CID 142229949
CID 123134376
CID 123134376
CID 87086045
CID 87086045
(2S)-4-azido-2-hydrazinylbutanoic acid
CID 89379573
2-(2-azidoethylamino)pentanoic acid
CID 66191397

Frequently Asked Questions

What is the IUPAC name of 4-azido-2-ethylbutanoic acid?
The IUPAC name of 4-azido-2-ethylbutanoic acid (CID 131985963) is 4-azido-2-ethylbutanoic acid.
What is the SMILES notation for 4-azido-2-ethylbutanoic acid?
The canonical SMILES for 4-azido-2-ethylbutanoic acid is CCC(CCN=[N+]=[N-])C(=O)O.
What is the InChIKey of 4-azido-2-ethylbutanoic acid?
The InChIKey is BOBMOYVQDLSKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-2-5(6(10)11)3-4-8-9-7/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 4-azido-2-ethylbutanoic acid?
4-azido-2-ethylbutanoic acid has a molecular weight of 157.17 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-2-ethylbutanoic acid is sourced from PubChem (CID 131985963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).