5-[methyl(propan-2-yl)amino]pentanoic acid;hydrochloride

C9H20ClNO2 — CID 155858640

IUPAC5-[methyl(propan-2-yl)amino]pentanoic acid;hydrochloride
SMILESCC(C)N(C)CCCCC(=O)O.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-8(2)10(3)7-5-4-6-9(11)12;/h8H,4-7H2,1-3H3,(H,11,12);1H
InChIKeyRJWPKJKKIZLERE-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.00
Rot. Bonds6

About 5-[methyl(propan-2-yl)amino]pentanoic acid;hydrochloride

5-[methyl(propan-2-yl)amino]pentanoic acid;hydrochloride (PubChem CID 155858640) has the molecular formula C9H20ClNO2 and a molecular weight of 209.72 g/mol. Its IUPAC name is 5-[methyl(propan-2-yl)amino]pentanoic acid;hydrochloride.

Molecular Properties

Compound Name5-[methyl(propan-2-yl)amino]pentanoic acid;hydrochloride
PubChem CID155858640
Molecular FormulaC9H20ClNO2
Molecular Weight209.72 g/mol
Exact Mass209.12
IUPAC Name5-[methyl(propan-2-yl)amino]pentanoic acid;hydrochloride
SMILESCC(C)N(C)CCCCC(=O)O.Cl
InChIInChI=1S/C9H19NO2.ClH/c1-8(2)10(3)7-5-4-6-9(11)12;/h8H,4-7H2,1-3H3,(H,11,12);1H
InChIKeyRJWPKJKKIZLERE-UHFFFAOYSA-N
XLogP2.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.00
H-Bond Donors ≤ 51
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-[methyl(propan-2-yl)amino]pentanoic acid;hydrochloride?
The IUPAC name of 5-[methyl(propan-2-yl)amino]pentanoic acid;hydrochloride (CID 155858640) is 5-[methyl(propan-2-yl)amino]pentanoic acid;hydrochloride.
What is the SMILES notation for 5-[methyl(propan-2-yl)amino]pentanoic acid;hydrochloride?
The canonical SMILES for 5-[methyl(propan-2-yl)amino]pentanoic acid;hydrochloride is CC(C)N(C)CCCCC(=O)O.Cl.
What is the InChIKey of 5-[methyl(propan-2-yl)amino]pentanoic acid;hydrochloride?
The InChIKey is RJWPKJKKIZLERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.ClH/c1-8(2)10(3)7-5-4-6-9(11)12;/h8H,4-7H2,1-3H3,(H,11,12);1H.
What are the key properties of 5-[methyl(propan-2-yl)amino]pentanoic acid;hydrochloride?
5-[methyl(propan-2-yl)amino]pentanoic acid;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(propan-2-yl)amino]pentanoic acid;hydrochloride is sourced from PubChem (CID 155858640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).