2-(2-azidoethylamino)pentanoic acid

C7H14N4O2 — CID 66191397

IUPAC2-(2-azidoethylamino)pentanoic acid
SMILESCCCC(NCCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C7H14N4O2/c1-2-3-6(7(12)13)9-4-5-10-11-8/h6,9H,2-5H2,1H3,(H,12,13)
InChIKeyUPGJEOMZCIOCTK-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.14
Rot. Bonds7

About 2-(2-azidoethylamino)pentanoic acid

2-(2-azidoethylamino)pentanoic acid (PubChem CID 66191397) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(2-azidoethylamino)pentanoic acid.

Molecular Properties

Compound Name2-(2-azidoethylamino)pentanoic acid
PubChem CID66191397
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC Name2-(2-azidoethylamino)pentanoic acid
SMILESCCCC(NCCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C7H14N4O2/c1-2-3-6(7(12)13)9-4-5-10-11-8/h6,9H,2-5H2,1H3,(H,12,13)
InChIKeyUPGJEOMZCIOCTK-UHFFFAOYSA-N
XLogP1.14
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(2-azidoethylamino)octanoic acid
CID 66190006
3-azido-2-(2-azidoethylamino)propanamide
CID 66429441
2-(3-azidopropylamino)-3-hydroxypropanoic acid
CID 104711302
2-(2-azidoethylamino)-4,4-dimethylpentanamide
CID 66190065
N-(4-azidobutyl)-2-methylpentanamide
CID 106386395
2-(2-propoxyethylamino)pentanoic acid
CID 106454592
methyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate
CID 66191015
(2R)-2-(methylamino)pentanoic acid
CID 15677248
16-[(3-azido-1-carboxypropyl)amino]-6-oxohexadecanoic acid
CID 134363451
N-(2-azidoethyl)-2-methylbutanamide
CID 61343601
(2S)-4-azido-2-hydrazinylbutanoic acid
CID 89379573
calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon
CID 174783521

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethylamino)pentanoic acid?
The IUPAC name of 2-(2-azidoethylamino)pentanoic acid (CID 66191397) is 2-(2-azidoethylamino)pentanoic acid.
What is the SMILES notation for 2-(2-azidoethylamino)pentanoic acid?
The canonical SMILES for 2-(2-azidoethylamino)pentanoic acid is CCCC(NCCN=[N+]=[N-])C(=O)O.
What is the InChIKey of 2-(2-azidoethylamino)pentanoic acid?
The InChIKey is UPGJEOMZCIOCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-2-3-6(7(12)13)9-4-5-10-11-8/h6,9H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-(2-azidoethylamino)pentanoic acid?
2-(2-azidoethylamino)pentanoic acid has a molecular weight of 186.21 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethylamino)pentanoic acid is sourced from PubChem (CID 66191397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).