3-[tert-butyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid

C15H28N2O3 — CID 63128579

IUPAC3-[tert-butyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid
SMILESCCC1(C(=O)N(CCC(=O)O)C(C)(C)C)CCNCC1
InChIInChI=1S/C15H28N2O3/c1-5-15(7-9-16-10-8-15)13(20)17(14(2,3)4)11-6-12(18)19/h16H,5-11H2,1-4H3,(H,18,19)
InChIKeyOUBYKIQWULSWMU-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.87
Rot. Bonds5

About 3-[tert-butyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid

3-[tert-butyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid (PubChem CID 63128579) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[tert-butyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid
PubChem CID63128579
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[tert-butyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid
SMILESCCC1(C(=O)N(CCC(=O)O)C(C)(C)C)CCNCC1
InChIInChI=1S/C15H28N2O3/c1-5-15(7-9-16-10-8-15)13(20)17(14(2,3)4)11-6-12(18)19/h16H,5-11H2,1-4H3,(H,18,19)
InChIKeyOUBYKIQWULSWMU-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid
CID 63128710
3-[tert-butyl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 106980310
3-[cyclopropyl-(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141640
3-[(1-aminocyclopropanecarbonyl)-tert-butylamino]propanoic acid
CID 65464697
N-cyclopropyl-N,4-diethylpiperidine-4-carboxamide
CID 63127607
2-[(4-ethylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258002
4-ethyl-N-(3-methylpentan-3-yl)piperidine-4-carboxamide
CID 106328694
4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001579
3-[tert-butyl(1,4-diazepane-1-carbonyl)amino]propanoic acid
CID 61402978
2-[(4-ethylpiperidine-4-carbonyl)amino]-2-methylbutanoic acid
CID 79798379
3-[tert-butyl(pyrrolidine-3-carbonyl)amino]propanoic acid
CID 63005181
4-ethyl-N-(2-hydroxyethyl)-N-propylpiperidine-4-carboxamide
CID 63128322

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid (CID 63128579) is 3-[tert-butyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid is CCC1(C(=O)N(CCC(=O)O)C(C)(C)C)CCNCC1.
What is the InChIKey of 3-[tert-butyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid?
The InChIKey is OUBYKIQWULSWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-15(7-9-16-10-8-15)13(20)17(14(2,3)4)11-6-12(18)19/h16H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 3-[tert-butyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid?
3-[tert-butyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-(4-ethylpiperidine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 63128579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).