3-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid

C15H27NO4 — CID 119030188

IUPAC3-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid
SMILESCC(C)(C)OC(=O)N1CCC(C(C)(C)CC(=O)O)CC1
InChIInChI=1S/C15H27NO4/c1-14(2,3)20-13(19)16-8-6-11(7-9-16)15(4,5)10-12(17)18/h11H,6-10H2,1-5H3,(H,17,18)
InChIKeyFMECRTCRYMKTKA-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.13
Rot. Bonds3

About 3-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid

3-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid (PubChem CID 119030188) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 3-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid
PubChem CID119030188
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name3-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid
SMILESCC(C)(C)OC(=O)N1CCC(C(C)(C)CC(=O)O)CC1
InChIInChI=1S/C15H27NO4/c1-14(2,3)20-13(19)16-8-6-11(7-9-16)15(4,5)10-12(17)18/h11H,6-10H2,1-5H3,(H,17,18)
InChIKeyFMECRTCRYMKTKA-UHFFFAOYSA-N
XLogP3.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid with MolForge

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Related Compounds

tert-butyl 4-[2-(methylamino)propan-2-yl]piperidine-1-carboxylate
CID 84708894
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-oxoacetic acid
CID 138967384
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]acetic acid
CID 53302291
tert-butyl 4-(sulfanylmethyl)piperidine-1-carboxylate
CID 58694772
tert-butyl 3-cyclopropyl-3-methylbutanoate
CID 123397045
tert-butyl 4-hydroxypiperidine-1-carboxylate;2-methylprop-2-enoic acid
CID 122652546
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-(aminomethyl)-5-methylazepane-1-carboxylate
CID 84801702
tert-butyl 4-(hydroxymethylsulfanyl)piperidine-1-carboxylate;ethane
CID 142541319
tert-butyl 4-[2-(methylamino)propan-2-yl]azepane-1-carboxylate
CID 84712742
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxy-2-oxoacetic acid
CID 154710918

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid?
The IUPAC name of 3-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid (CID 119030188) is 3-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid.
What is the SMILES notation for 3-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid?
The canonical SMILES for 3-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid is CC(C)(C)OC(=O)N1CCC(C(C)(C)CC(=O)O)CC1.
What is the InChIKey of 3-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid?
The InChIKey is FMECRTCRYMKTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-14(2,3)20-13(19)16-8-6-11(7-9-16)15(4,5)10-12(17)18/h11H,6-10H2,1-5H3,(H,17,18).
What are the key properties of 3-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid?
3-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid has a molecular weight of 285.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butanoic acid is sourced from PubChem (CID 119030188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).