3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid

C15H28N2O3 — CID 62084014

IUPAC3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)N1CCC(C(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-11(13(18)19)10-16(5)14(20)17-8-6-12(7-9-17)15(2,3)4/h11-12H,6-10H2,1-5H3,(H,18,19)
InChIKeyUHMJUNPJORFTIC-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.52
Rot. Bonds3

About 3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid

3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 62084014) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID62084014
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)N1CCC(C(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-11(13(18)19)10-16(5)14(20)17-8-6-12(7-9-17)15(2,3)4/h11-12H,6-10H2,1-5H3,(H,18,19)
InChIKeyUHMJUNPJORFTIC-UHFFFAOYSA-N
XLogP2.52
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid (CID 62084014) is 3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)N1CCC(C(C)(C)C)CC1)C(=O)O.
What is the InChIKey of 3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is UHMJUNPJORFTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(13(18)19)10-16(5)14(20)17-8-6-12(7-9-17)15(2,3)4/h11-12H,6-10H2,1-5H3,(H,18,19).
What are the key properties of 3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid?
3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62084014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).