2-(piperidine-1-carbonylamino)octanedioic acid

C14H24N2O5 — CID 90875072

IUPAC2-(piperidine-1-carbonylamino)octanedioic acid
SMILESO=C(O)CCCCCC(NC(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C14H24N2O5/c17-12(18)8-4-1-3-7-11(13(19)20)15-14(21)16-9-5-2-6-10-16/h11H,1-10H2,(H,15,21)(H,17,18)(H,19,20)
InChIKeyJPKGUFKQKACHMZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.67
Rot. Bonds8

About 2-(piperidine-1-carbonylamino)octanedioic acid

2-(piperidine-1-carbonylamino)octanedioic acid (PubChem CID 90875072) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(piperidine-1-carbonylamino)octanedioic acid.

Molecular Properties

Compound Name2-(piperidine-1-carbonylamino)octanedioic acid
PubChem CID90875072
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name2-(piperidine-1-carbonylamino)octanedioic acid
SMILESO=C(O)CCCCCC(NC(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C14H24N2O5/c17-12(18)8-4-1-3-7-11(13(19)20)15-14(21)16-9-5-2-6-10-16/h11H,1-10H2,(H,15,21)(H,17,18)(H,19,20)
InChIKeyJPKGUFKQKACHMZ-UHFFFAOYSA-N
XLogP1.67
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidine-1-carbonylamino)octanedioic acid?
The IUPAC name of 2-(piperidine-1-carbonylamino)octanedioic acid (CID 90875072) is 2-(piperidine-1-carbonylamino)octanedioic acid.
What is the SMILES notation for 2-(piperidine-1-carbonylamino)octanedioic acid?
The canonical SMILES for 2-(piperidine-1-carbonylamino)octanedioic acid is O=C(O)CCCCCC(NC(=O)N1CCCCC1)C(=O)O.
What is the InChIKey of 2-(piperidine-1-carbonylamino)octanedioic acid?
The InChIKey is JPKGUFKQKACHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c17-12(18)8-4-1-3-7-11(13(19)20)15-14(21)16-9-5-2-6-10-16/h11H,1-10H2,(H,15,21)(H,17,18)(H,19,20).
What are the key properties of 2-(piperidine-1-carbonylamino)octanedioic acid?
2-(piperidine-1-carbonylamino)octanedioic acid has a molecular weight of 300.36 g/mol, XLogP of 1.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidine-1-carbonylamino)octanedioic acid is sourced from PubChem (CID 90875072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).