3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclobutane-1-carboxylic acid

C14H24N2O4 — CID 125453534

IUPAC3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(C2CC(C(=O)O)C2)CC1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(19)16-6-4-15(5-7-16)11-8-10(9-11)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyLREVCLLIJIMYGM-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.40
Rot. Bonds2

About 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclobutane-1-carboxylic acid

3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclobutane-1-carboxylic acid (PubChem CID 125453534) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclobutane-1-carboxylic acid
PubChem CID125453534
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCN(C2CC(C(=O)O)C2)CC1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(19)16-6-4-15(5-7-16)11-8-10(9-11)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyLREVCLLIJIMYGM-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-((Tert-butoxy)carbonyl)piperazin-1-yl)butanoic acid
CID 90397912
rac-(2R,4R)-1-((tert-butoxy)carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 98010222
3-{[(Tert-butoxy)carbonyl](methyl)amino}cyclobutane-1-carboxylic acid
CID 118798285
1-{1-[(Tert-butoxy)carbonyl]azetidin-3-yl}piperidine-4-carboxylic acid
CID 146021359
1-Boc-2-methylpiperidine-4-carboxylic Acid
CID 22327018
2-(4-((Tert-butoxy)carbonyl)piperazin-1-yl)pentanoic acid
CID 72118866
1-{4-[(Tert-butoxy)carbonyl]piperazin-1-yl}cyclobutane-1-carboxylic acid
CID 165753507
1-[(tert-Butoxy)carbonyl]-5-(dimethylamino)piperidine-3-carboxylic acid
CID 83845045
1-(1-(Tert-butoxycarbonyl)pyrrolidin-3-YL)piperidine-4-carboxylic acid
CID 53413965
2-[1-Methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-2-yl]acetic acid
CID 54049201
4-Methyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pentanoic acid
CID 58786713
(2S,4S)-1-(tert-Butoxycarbonyl)-2-methylpiperidine-4-carboxylic acid
CID 91647720

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclobutane-1-carboxylic acid (CID 125453534) is 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclobutane-1-carboxylic acid is CC(C)(C)OC(=O)N1CCN(C2CC(C(=O)O)C2)CC1.
What is the InChIKey of 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclobutane-1-carboxylic acid?
The InChIKey is LREVCLLIJIMYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2,3)20-13(19)16-6-4-15(5-7-16)11-8-10(9-11)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclobutane-1-carboxylic acid?
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclobutane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 125453534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).