5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid

C16H30N2O3 — CID 82013484

IUPAC5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H30N2O3/c1-12(5-6-14(19)20)11-17-15(21)18-9-7-13(8-10-18)16(2,3)4/h12-13H,5-11H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyUOKNWWLYKFDVQK-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.95
Rot. Bonds5

About 5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid

5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 82013484) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
PubChem CID82013484
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H30N2O3/c1-12(5-6-14(19)20)11-17-15(21)18-9-7-13(8-10-18)16(2,3)4/h12-13H,5-11H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyUOKNWWLYKFDVQK-UHFFFAOYSA-N
XLogP2.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-tert-butylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 81067824
4-methyl-5-[(4-propan-2-ylazepane-1-carbonyl)amino]pentanoic acid
CID 82014265
4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid
CID 82682716
4-methyl-5-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 113418247
5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 82013036
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 106670569
4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 82682847
4-methyl-5-[(4-methyl-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 82688949
2-[[(4-tert-butylazepane-1-carbonyl)amino]methyl]butanoic acid
CID 65226928
5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 82013959
4-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pentanoic acid
CID 106315845
5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 103357258

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid (CID 82013484) is 5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is UOKNWWLYKFDVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(5-6-14(19)20)11-17-15(21)18-9-7-13(8-10-18)16(2,3)4/h12-13H,5-11H2,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 298.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82013484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).