12-iminododecanoic acid

C12H23NO2 — CID 142632270

IUPAC12-iminododecanoic acid
SMILES[H]/N=C/CCCCCCCCCCC(=O)O
InChIInChI=1S/C12H23NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h11,13H,1-10H2,(H,14,15)/b13-11+
InChIKeyWZGDSFDLINFELK-ACCUITESSA-N
MW213.32 g/mol
LogP3.62
Rot. Bonds11

About 12-iminododecanoic acid

12-iminododecanoic acid (PubChem CID 142632270) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 12-iminododecanoic acid.

Molecular Properties

Compound Name12-iminododecanoic acid
PubChem CID142632270
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name12-iminododecanoic acid
SMILES[H]/N=C/CCCCCCCCCCC(=O)O
InChIInChI=1S/C12H23NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h11,13H,1-10H2,(H,14,15)/b13-11+
InChIKeyWZGDSFDLINFELK-ACCUITESSA-N
XLogP3.62
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
tetradec-6-enedioic acid
CID 151545129
hexane-1,6-diimine;hydrochloride
CID 175422205
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
tridecanedioic acid;undecanedioic acid
CID 158333715

Frequently Asked Questions

What is the IUPAC name of 12-iminododecanoic acid?
The IUPAC name of 12-iminododecanoic acid (CID 142632270) is 12-iminododecanoic acid.
What is the SMILES notation for 12-iminododecanoic acid?
The canonical SMILES for 12-iminododecanoic acid is [H]/N=C/CCCCCCCCCCC(=O)O.
What is the InChIKey of 12-iminododecanoic acid?
The InChIKey is WZGDSFDLINFELK-ACCUITESSA-N. The full InChI is InChI=1S/C12H23NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h11,13H,1-10H2,(H,14,15)/b13-11+.
What are the key properties of 12-iminododecanoic acid?
12-iminododecanoic acid has a molecular weight of 213.32 g/mol, XLogP of 3.62, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-iminododecanoic acid is sourced from PubChem (CID 142632270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).