3-(pentylamino)propanoic acid;hydrochloride

C8H18ClNO2 — CID 88744045

IUPAC3-(pentylamino)propanoic acid;hydrochloride
SMILESCCCCCNCCC(=O)O.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-2-3-4-6-9-7-5-8(10)11;/h9H,2-7H2,1H3,(H,10,11);1H
InChIKeyCXFOIGXSVZQQJV-UHFFFAOYSA-N
MW195.69 g/mol
LogP1.66
Rot. Bonds7

About 3-(pentylamino)propanoic acid;hydrochloride

3-(pentylamino)propanoic acid;hydrochloride (PubChem CID 88744045) has the molecular formula C8H18ClNO2 and a molecular weight of 195.69 g/mol. Its IUPAC name is 3-(pentylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(pentylamino)propanoic acid;hydrochloride
PubChem CID88744045
Molecular FormulaC8H18ClNO2
Molecular Weight195.69 g/mol
Exact Mass195.10
IUPAC Name3-(pentylamino)propanoic acid;hydrochloride
SMILESCCCCCNCCC(=O)O.Cl
InChIInChI=1S/C8H17NO2.ClH/c1-2-3-4-6-9-7-5-8(10)11;/h9H,2-7H2,1H3,(H,10,11);1H
InChIKeyCXFOIGXSVZQQJV-UHFFFAOYSA-N
XLogP1.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.66
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 3-(pentylamino)propanoic acid;hydrochloride?
The IUPAC name of 3-(pentylamino)propanoic acid;hydrochloride (CID 88744045) is 3-(pentylamino)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(pentylamino)propanoic acid;hydrochloride?
The canonical SMILES for 3-(pentylamino)propanoic acid;hydrochloride is CCCCCNCCC(=O)O.Cl.
What is the InChIKey of 3-(pentylamino)propanoic acid;hydrochloride?
The InChIKey is CXFOIGXSVZQQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.ClH/c1-2-3-4-6-9-7-5-8(10)11;/h9H,2-7H2,1H3,(H,10,11);1H.
What are the key properties of 3-(pentylamino)propanoic acid;hydrochloride?
3-(pentylamino)propanoic acid;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 88744045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).