2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid

C13H25NO4 — CID 82329020

IUPAC2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(CC(C)C)CC(C)C(=O)O
InChIInChI=1S/C13H25NO4/c1-5-6-11(13(17)18)14(7-9(2)3)8-10(4)12(15)16/h9-11H,5-8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeySPXCEOPFSIBKCI-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.92
Rot. Bonds9

About 2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid

2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid (PubChem CID 82329020) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid
PubChem CID82329020
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid
SMILESCCCC(C(=O)O)N(CC(C)C)CC(C)C(=O)O
InChIInChI=1S/C13H25NO4/c1-5-6-11(13(17)18)14(7-9(2)3)8-10(4)12(15)16/h9-11H,5-8H2,1-4H3,(H,15,16)(H,17,18)
InChIKeySPXCEOPFSIBKCI-UHFFFAOYSA-N
XLogP1.92
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid?
The IUPAC name of 2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid (CID 82329020) is 2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid.
What is the SMILES notation for 2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid?
The canonical SMILES for 2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid is CCCC(C(=O)O)N(CC(C)C)CC(C)C(=O)O.
What is the InChIKey of 2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid?
The InChIKey is SPXCEOPFSIBKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-5-6-11(13(17)18)14(7-9(2)3)8-10(4)12(15)16/h9-11H,5-8H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid?
2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid has a molecular weight of 259.35 g/mol, XLogP of 1.92, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid is sourced from PubChem (CID 82329020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).