5-(methylamino)pentanoic acid;hydrochloride

C6H14ClNO2 — CID 86019176

IUPAC5-(methylamino)pentanoic acid;hydrochloride
SMILESCNCCCCC(=O)O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-7-5-3-2-4-6(8)9;/h7H,2-5H2,1H3,(H,8,9);1H
InChIKeyGYUZIYUXXMGCRR-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.88
Rot. Bonds5

About 5-(methylamino)pentanoic acid;hydrochloride

5-(methylamino)pentanoic acid;hydrochloride (PubChem CID 86019176) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is 5-(methylamino)pentanoic acid;hydrochloride.

Molecular Properties

Compound Name5-(methylamino)pentanoic acid;hydrochloride
PubChem CID86019176
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name5-(methylamino)pentanoic acid;hydrochloride
SMILESCNCCCCC(=O)O.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-7-5-3-2-4-6(8)9;/h7H,2-5H2,1H3,(H,8,9);1H
InChIKeyGYUZIYUXXMGCRR-UHFFFAOYSA-N
XLogP0.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.88
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-(methylamino)pentanoic acid;hydrochloride?
The IUPAC name of 5-(methylamino)pentanoic acid;hydrochloride (CID 86019176) is 5-(methylamino)pentanoic acid;hydrochloride.
What is the SMILES notation for 5-(methylamino)pentanoic acid;hydrochloride?
The canonical SMILES for 5-(methylamino)pentanoic acid;hydrochloride is CNCCCCC(=O)O.Cl.
What is the InChIKey of 5-(methylamino)pentanoic acid;hydrochloride?
The InChIKey is GYUZIYUXXMGCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-7-5-3-2-4-6(8)9;/h7H,2-5H2,1H3,(H,8,9);1H.
What are the key properties of 5-(methylamino)pentanoic acid;hydrochloride?
5-(methylamino)pentanoic acid;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)pentanoic acid;hydrochloride is sourced from PubChem (CID 86019176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).