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

C14H25NO4 — CID 57100923

IUPAC2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid
SMILESCCC(C(=O)O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO4/c1-5-11(12(16)17)10-7-6-8-15(9-10)13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyWWUIKQPHBJHIDZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.74
Rot. Bonds3

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

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid (PubChem CID 57100923) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid
PubChem CID57100923
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid
SMILESCCC(C(=O)O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO4/c1-5-11(12(16)17)10-7-6-8-15(9-10)13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyWWUIKQPHBJHIDZ-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-Butoxycarbonyl)-4-piperidinecarboxylic acid
CID 392871
3-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)propanoic acid
CID 1512540
7-[(Tert-butoxy)carbonyl]-7-azaspiro[3.5]nonane-2-carboxylic acid
CID 53488162
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
3-{1-[(Tert-butoxy)carbonyl]piperidin-3-yl}butanoic acid
CID 71691535
rac-(3R,4R)-1-[(tert-butoxy)carbonyl]-3-methylpiperidine-4-carboxylic acid
CID 1502006
(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 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid (CID 57100923) is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid is CCC(C(=O)O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid?
The InChIKey is WWUIKQPHBJHIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-5-11(12(16)17)10-7-6-8-15(9-10)13(18)19-14(2,3)4/h10-11H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid?
2-[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 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]butanoic acid is sourced from PubChem (CID 57100923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).