5-(nonylamino)pentanoic acid

C14H29NO2 — CID 134497749

IUPAC5-(nonylamino)pentanoic acid
SMILESCCCCCCCCCNCCCCC(=O)O
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14(16)17/h15H,2-13H2,1H3,(H,16,17)
InChIKeyYUANCOSECLUBTI-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.58
Rot. Bonds13

About 5-(nonylamino)pentanoic acid

5-(nonylamino)pentanoic acid (PubChem CID 134497749) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 5-(nonylamino)pentanoic acid.

Molecular Properties

Compound Name5-(nonylamino)pentanoic acid
PubChem CID134497749
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name5-(nonylamino)pentanoic acid
SMILESCCCCCCCCCNCCCCC(=O)O
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14(16)17/h15H,2-13H2,1H3,(H,16,17)
InChIKeyYUANCOSECLUBTI-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.58
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

6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
12-(pentylamino)dodecanoic acid
CID 57245176
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
13-(hexylamino)tridecanoic acid
CID 21488721
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565
7-(nonylamino)heptanoic acid;hydrobromide
CID 71399860
N-butylbutan-1-amine;octanoic acid
CID 53326963
N-butylbutan-1-amine;decanedioic acid
CID 159923840
sodium;hydride;4-(octadecylamino)butanoic acid
CID 175150235
5-(butylamino)pentanoic acid;silver
CID 174567660
azane;3-(dodecylamino)propanoic acid
CID 174643455

Frequently Asked Questions

What is the IUPAC name of 5-(nonylamino)pentanoic acid?
The IUPAC name of 5-(nonylamino)pentanoic acid (CID 134497749) is 5-(nonylamino)pentanoic acid.
What is the SMILES notation for 5-(nonylamino)pentanoic acid?
The canonical SMILES for 5-(nonylamino)pentanoic acid is CCCCCCCCCNCCCCC(=O)O.
What is the InChIKey of 5-(nonylamino)pentanoic acid?
The InChIKey is YUANCOSECLUBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14(16)17/h15H,2-13H2,1H3,(H,16,17).
What are the key properties of 5-(nonylamino)pentanoic acid?
5-(nonylamino)pentanoic acid has a molecular weight of 243.39 g/mol, XLogP of 3.58, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(nonylamino)pentanoic acid is sourced from PubChem (CID 134497749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).