2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid

C13H26N2O2 — CID 65057099

IUPAC2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid
SMILESCC(C)N1CCC(N(CC(=O)O)C(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)14-7-5-12(6-8-14)15(11(3)4)9-13(16)17/h10-12H,5-9H2,1-4H3,(H,16,17)
InChIKeyJNJMXSBXKJPSII-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.65
Rot. Bonds5

About 2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid

2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid (PubChem CID 65057099) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid
PubChem CID65057099
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid
SMILESCC(C)N1CCC(N(CC(=O)O)C(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-10(2)14-7-5-12(6-8-14)15(11(3)4)9-13(16)17/h10-12H,5-9H2,1-4H3,(H,16,17)
InChIKeyJNJMXSBXKJPSII-UHFFFAOYSA-N
XLogP1.65
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid (CID 65057099) is 2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid is CC(C)N1CCC(N(CC(=O)O)C(C)C)CC1.
What is the InChIKey of 2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid?
The InChIKey is JNJMXSBXKJPSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)14-7-5-12(6-8-14)15(11(3)4)9-13(16)17/h10-12H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid?
2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid has a molecular weight of 242.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid is sourced from PubChem (CID 65057099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).