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

C14H25NO4 — CID 71691535

IUPAC3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO4/c1-10(8-12(16)17)11-6-5-7-15(9-11)13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyIZEJZUPKBMBXQV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.74
Rot. Bonds3

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

3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid (PubChem CID 71691535) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid
PubChem CID71691535
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO4/c1-10(8-12(16)17)11-6-5-7-15(9-11)13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyIZEJZUPKBMBXQV-UHFFFAOYSA-N
XLogP2.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-((Tert-butoxy)carbonyl)piperidine-3-carboxylic acid
CID 2735647
[1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid
CID 1512539
1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate
CID 643516
3-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)propanoic acid
CID 1512540
(3S)-1-((tert-butoxy)carbonyl)piperidine-3-carboxylic acid
CID 6951168
2-(1-((Tert-butoxy)carbonyl)piperidin-3-yl)acetic acid
CID 4115028
2-{1-[(Tert-butoxy)carbonyl]piperidin-4-yl}cyclopentane-1-carboxylic acid
CID 138039617
(S)-2-(1-(tert-butoxycarbonyl)piperidin-3-yl)acetic acid
CID 1502084
2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 1502085
3-((3S)-1-((tert-butoxy)carbonyl)piperidin-3-yl)propanoic acid
CID 1502091
3-[(3R)-1-[(tert-butoxy)carbonyl]piperidin-3-yl]propanoic acid
CID 1502092
1-Boc-piperidin-3-yl-propionic acid
CID 2756824

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid (CID 71691535) is 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid?
The InChIKey is IZEJZUPKBMBXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(8-12(16)17)11-6-5-7-15(9-11)13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid?
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid has a molecular weight of 271.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 71691535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).