4-(pentylamino)butanoic acid

C9H19NO2 — CID 13292338

IUPAC4-(pentylamino)butanoic acid
SMILESCCCCCNCCCC(=O)O
InChIInChI=1S/C9H19NO2/c1-2-3-4-7-10-8-5-6-9(11)12/h10H,2-8H2,1H3,(H,11,12)
InChIKeySVWNYTZMQCVJAY-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.63
Rot. Bonds8

About 4-(pentylamino)butanoic acid

4-(pentylamino)butanoic acid (PubChem CID 13292338) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 4-(pentylamino)butanoic acid.

Molecular Properties

Compound Name4-(pentylamino)butanoic acid
PubChem CID13292338
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name4-(pentylamino)butanoic acid
SMILESCCCCCNCCCC(=O)O
InChIInChI=1S/C9H19NO2/c1-2-3-4-7-10-8-5-6-9(11)12/h10H,2-8H2,1H3,(H,11,12)
InChIKeySVWNYTZMQCVJAY-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.63
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 4-(pentylamino)butanoic acid?
The IUPAC name of 4-(pentylamino)butanoic acid (CID 13292338) is 4-(pentylamino)butanoic acid.
What is the SMILES notation for 4-(pentylamino)butanoic acid?
The canonical SMILES for 4-(pentylamino)butanoic acid is CCCCCNCCCC(=O)O.
What is the InChIKey of 4-(pentylamino)butanoic acid?
The InChIKey is SVWNYTZMQCVJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-3-4-7-10-8-5-6-9(11)12/h10H,2-8H2,1H3,(H,11,12).
What are the key properties of 4-(pentylamino)butanoic acid?
4-(pentylamino)butanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentylamino)butanoic acid is sourced from PubChem (CID 13292338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).