2-(3-azidopropylamino)-2-methyloctanoic acid

C12H24N4O2 — CID 66191282

IUPAC2-(3-azidopropylamino)-2-methyloctanoic acid
SMILESCCCCCCC(C)(NCCCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C12H24N4O2/c1-3-4-5-6-8-12(2,11(17)18)14-9-7-10-15-16-13/h14H,3-10H2,1-2H3,(H,17,18)
InChIKeySXPOUGPYPWSDPQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.09
Rot. Bonds11

About 2-(3-azidopropylamino)-2-methyloctanoic acid

2-(3-azidopropylamino)-2-methyloctanoic acid (PubChem CID 66191282) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-2-methyloctanoic acid.

Molecular Properties

Compound Name2-(3-azidopropylamino)-2-methyloctanoic acid
PubChem CID66191282
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name2-(3-azidopropylamino)-2-methyloctanoic acid
SMILESCCCCCCC(C)(NCCCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C12H24N4O2/c1-3-4-5-6-8-12(2,11(17)18)14-9-7-10-15-16-13/h14H,3-10H2,1-2H3,(H,17,18)
InChIKeySXPOUGPYPWSDPQ-UHFFFAOYSA-N
XLogP3.09
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.09
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-methylheptanenitrile
CID 80557277
methyl 2-methyl-2-(propylamino)octanoate
CID 60796900
2-methyl-2-(methylamino)pentadecanoic acid
CID 90221334
2-methyl-2-(methylamino)nonanoic acid
CID 43753674
2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid
CID 151765471
sodium 2-(dodecylamino)-2-methylhexadecanoate
CID 88793434
2-(cyclopropylmethylamino)-2-methyloctanoic acid
CID 61001343
2-(2-azidoethylamino)-2-propylpentanoic acid
CID 66190985
1-azidohexadecane
CID 11230945
2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid
CID 79355808
1-azidooctane;hydrochloride
CID 175871639

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)-2-methyloctanoic acid?
The IUPAC name of 2-(3-azidopropylamino)-2-methyloctanoic acid (CID 66191282) is 2-(3-azidopropylamino)-2-methyloctanoic acid.
What is the SMILES notation for 2-(3-azidopropylamino)-2-methyloctanoic acid?
The canonical SMILES for 2-(3-azidopropylamino)-2-methyloctanoic acid is CCCCCCC(C)(NCCCN=[N+]=[N-])C(=O)O.
What is the InChIKey of 2-(3-azidopropylamino)-2-methyloctanoic acid?
The InChIKey is SXPOUGPYPWSDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-3-4-5-6-8-12(2,11(17)18)14-9-7-10-15-16-13/h14H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-azidopropylamino)-2-methyloctanoic acid?
2-(3-azidopropylamino)-2-methyloctanoic acid has a molecular weight of 256.35 g/mol, XLogP of 3.09, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylamino)-2-methyloctanoic acid is sourced from PubChem (CID 66191282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).