5-(pentylamino)pentanoic acid

C10H21NO2 — CID 13292386

IUPAC5-(pentylamino)pentanoic acid
SMILESCCCCCNCCCCC(=O)O
InChIInChI=1S/C10H21NO2/c1-2-3-5-8-11-9-6-4-7-10(12)13/h11H,2-9H2,1H3,(H,12,13)
InChIKeyOWMXACWYVIQKJY-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.02
Rot. Bonds9

About 5-(pentylamino)pentanoic acid

5-(pentylamino)pentanoic acid (PubChem CID 13292386) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 5-(pentylamino)pentanoic acid.

Molecular Properties

Compound Name5-(pentylamino)pentanoic acid
PubChem CID13292386
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name5-(pentylamino)pentanoic acid
SMILESCCCCCNCCCCC(=O)O
InChIInChI=1S/C10H21NO2/c1-2-3-5-8-11-9-6-4-7-10(12)13/h11H,2-9H2,1H3,(H,12,13)
InChIKeyOWMXACWYVIQKJY-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.02
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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Frequently Asked Questions

What is the IUPAC name of 5-(pentylamino)pentanoic acid?
The IUPAC name of 5-(pentylamino)pentanoic acid (CID 13292386) is 5-(pentylamino)pentanoic acid.
What is the SMILES notation for 5-(pentylamino)pentanoic acid?
The canonical SMILES for 5-(pentylamino)pentanoic acid is CCCCCNCCCCC(=O)O.
What is the InChIKey of 5-(pentylamino)pentanoic acid?
The InChIKey is OWMXACWYVIQKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-3-5-8-11-9-6-4-7-10(12)13/h11H,2-9H2,1H3,(H,12,13).
What are the key properties of 5-(pentylamino)pentanoic acid?
5-(pentylamino)pentanoic acid has a molecular weight of 187.28 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pentylamino)pentanoic acid is sourced from PubChem (CID 13292386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).