5-[2-methylpropyl(propan-2-yl)amino]pentanoic acid

C12H25NO2 — CID 23540445

IUPAC5-[2-methylpropyl(propan-2-yl)amino]pentanoic acid
SMILESCC(C)CN(CCCCC(=O)O)C(C)C
InChIInChI=1S/C12H25NO2/c1-10(2)9-13(11(3)4)8-6-5-7-12(14)15/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyFXBCEHFKRDDRRY-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.61
Rot. Bonds8

About 5-[2-methylpropyl(propan-2-yl)amino]pentanoic acid

5-[2-methylpropyl(propan-2-yl)amino]pentanoic acid (PubChem CID 23540445) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-[2-methylpropyl(propan-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[2-methylpropyl(propan-2-yl)amino]pentanoic acid
PubChem CID23540445
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name5-[2-methylpropyl(propan-2-yl)amino]pentanoic acid
SMILESCC(C)CN(CCCCC(=O)O)C(C)C
InChIInChI=1S/C12H25NO2/c1-10(2)9-13(11(3)4)8-6-5-7-12(14)15/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyFXBCEHFKRDDRRY-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.61
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-[2-methylpropyl(propan-2-yl)amino]pentanoic acid?
The IUPAC name of 5-[2-methylpropyl(propan-2-yl)amino]pentanoic acid (CID 23540445) is 5-[2-methylpropyl(propan-2-yl)amino]pentanoic acid.
What is the SMILES notation for 5-[2-methylpropyl(propan-2-yl)amino]pentanoic acid?
The canonical SMILES for 5-[2-methylpropyl(propan-2-yl)amino]pentanoic acid is CC(C)CN(CCCCC(=O)O)C(C)C.
What is the InChIKey of 5-[2-methylpropyl(propan-2-yl)amino]pentanoic acid?
The InChIKey is FXBCEHFKRDDRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)9-13(11(3)4)8-6-5-7-12(14)15/h10-11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 5-[2-methylpropyl(propan-2-yl)amino]pentanoic acid?
5-[2-methylpropyl(propan-2-yl)amino]pentanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methylpropyl(propan-2-yl)amino]pentanoic acid is sourced from PubChem (CID 23540445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).