12-aminododecanoic acid;hydrochloride

C12H26ClNO2 — CID 12651573

IUPAC12-aminododecanoic acid;hydrochloride
SMILESCl.NCCCCCCCCCCCC(=O)O
InChIInChI=1S/C12H25NO2.ClH/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15;/h1-11,13H2,(H,14,15);1H
InChIKeyDNHDZMQRJHRYFX-UHFFFAOYSA-N
MW251.80 g/mol
LogP3.35
Rot. Bonds11

About 12-aminododecanoic acid;hydrochloride

12-aminododecanoic acid;hydrochloride (PubChem CID 12651573) has the molecular formula C12H26ClNO2 and a molecular weight of 251.80 g/mol. Its IUPAC name is 12-aminododecanoic acid;hydrochloride.

Molecular Properties

Compound Name12-aminododecanoic acid;hydrochloride
PubChem CID12651573
Molecular FormulaC12H26ClNO2
Molecular Weight251.80 g/mol
Exact Mass251.17
IUPAC Name12-aminododecanoic acid;hydrochloride
SMILESCl.NCCCCCCCCCCCC(=O)O
InChIInChI=1S/C12H25NO2.ClH/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15;/h1-11,13H2,(H,14,15);1H
InChIKeyDNHDZMQRJHRYFX-UHFFFAOYSA-N
XLogP3.35
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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12-aminododecanoic acid;carbamic acid
CID 157488032
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CID 143775887
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Frequently Asked Questions

What is the IUPAC name of 12-aminododecanoic acid;hydrochloride?
The IUPAC name of 12-aminododecanoic acid;hydrochloride (CID 12651573) is 12-aminododecanoic acid;hydrochloride.
What is the SMILES notation for 12-aminododecanoic acid;hydrochloride?
The canonical SMILES for 12-aminododecanoic acid;hydrochloride is Cl.NCCCCCCCCCCCC(=O)O.
What is the InChIKey of 12-aminododecanoic acid;hydrochloride?
The InChIKey is DNHDZMQRJHRYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2.ClH/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15;/h1-11,13H2,(H,14,15);1H.
What are the key properties of 12-aminododecanoic acid;hydrochloride?
12-aminododecanoic acid;hydrochloride has a molecular weight of 251.80 g/mol, XLogP of 3.35, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-aminododecanoic acid;hydrochloride is sourced from PubChem (CID 12651573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).