2-(2-azidoethylamino)-2-propylpentanoic acid

C10H20N4O2 — CID 66190985

IUPAC2-(2-azidoethylamino)-2-propylpentanoic acid
SMILESCCCC(CCC)(NCCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C10H20N4O2/c1-3-5-10(6-4-2,9(15)16)12-7-8-13-14-11/h12H,3-8H2,1-2H3,(H,15,16)
InChIKeyIVDHCFMLEZXFMD-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.31
Rot. Bonds9

About 2-(2-azidoethylamino)-2-propylpentanoic acid

2-(2-azidoethylamino)-2-propylpentanoic acid (PubChem CID 66190985) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-(2-azidoethylamino)-2-propylpentanoic acid.

Molecular Properties

Compound Name2-(2-azidoethylamino)-2-propylpentanoic acid
PubChem CID66190985
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name2-(2-azidoethylamino)-2-propylpentanoic acid
SMILESCCCC(CCC)(NCCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C10H20N4O2/c1-3-5-10(6-4-2,9(15)16)12-7-8-13-14-11/h12H,3-8H2,1-2H3,(H,15,16)
InChIKeyIVDHCFMLEZXFMD-UHFFFAOYSA-N
XLogP2.31
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.31
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)-2-methyloctanamide
CID 66188674
2-(3-azidopropylamino)-2-methyloctanoic acid
CID 66191282
2-(2-azidoethylamino)-2-(4-fluorophenyl)butanoic acid
CID 66190014
2-(2-azidoethylamino)pentanoic acid
CID 66191397
2-(2-azidoethylamino)-2-phenylbutanamide
CID 66191038
2-(3-azidopropanoylamino)-2-methylpropanoic acid
CID 71480870
2-(docosylamino)-4-hydroxy-2-(2-hydroxyethyl)butanoic acid
CID 158170321
2-ethyl-2-(hexylamino)butanoic acid
CID 79804258
4-methyl-2-(2-methylpropyl)-2-(propylamino)pentanoic acid
CID 114868055
2-(2-azidoethylamino)-2-(2,4-dimethylphenyl)propanoic acid
CID 66188813
2-(2-azidoethylamino)-2-(2-bromophenyl)propanoic acid
CID 66189213
N-(2-azidoethyl)-2-methylbutanamide
CID 61343601

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethylamino)-2-propylpentanoic acid?
The IUPAC name of 2-(2-azidoethylamino)-2-propylpentanoic acid (CID 66190985) is 2-(2-azidoethylamino)-2-propylpentanoic acid.
What is the SMILES notation for 2-(2-azidoethylamino)-2-propylpentanoic acid?
The canonical SMILES for 2-(2-azidoethylamino)-2-propylpentanoic acid is CCCC(CCC)(NCCN=[N+]=[N-])C(=O)O.
What is the InChIKey of 2-(2-azidoethylamino)-2-propylpentanoic acid?
The InChIKey is IVDHCFMLEZXFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-3-5-10(6-4-2,9(15)16)12-7-8-13-14-11/h12H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-azidoethylamino)-2-propylpentanoic acid?
2-(2-azidoethylamino)-2-propylpentanoic acid has a molecular weight of 228.30 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethylamino)-2-propylpentanoic acid is sourced from PubChem (CID 66190985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).