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

C15H26N2O4 — CID 107141436

IUPAC2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylazetidin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(CC(=O)O)(N2CCCCC2)C1
InChIInChI=1S/C15H26N2O4/c1-14(2,3)21-13(20)16-10-15(11-16,9-12(18)19)17-7-5-4-6-8-17/h4-11H2,1-3H3,(H,18,19)
InChIKeySRRQAURKOGFANP-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.94
Rot. Bonds3

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

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylazetidin-3-yl]acetic acid (PubChem CID 107141436) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylazetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylazetidin-3-yl]acetic acid
PubChem CID107141436
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylazetidin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(CC(=O)O)(N2CCCCC2)C1
InChIInChI=1S/C15H26N2O4/c1-14(2,3)21-13(20)16-10-15(11-16,9-12(18)19)17-7-5-4-6-8-17/h4-11H2,1-3H3,(H,18,19)
InChIKeySRRQAURKOGFANP-UHFFFAOYSA-N
XLogP1.94
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(4-oxopiperidin-1-yl)azetidin-3-yl]acetic acid
CID 107141592
2-[3-(3-ethylpyrrolidin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107141983
tert-butyl 3-ethyl-3-piperidin-1-ylpiperidine-1-carboxylate
CID 165471272
2-[3-(2-methylmorpholin-4-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107141431
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
2-[3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107141994
2-[3-(2-methoxyethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 107140750
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[2-methylpropyl(propan-2-yl)amino]azetidin-3-yl]acetic acid
CID 107141724
2-(1-pyrrolidin-1-ylcyclopropyl)acetic acid
CID 83682736
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
2-[3-aminooxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid
CID 165448168

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylazetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylazetidin-3-yl]acetic acid (CID 107141436) is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylazetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylazetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylazetidin-3-yl]acetic acid is CC(C)(C)OC(=O)N1CC(CC(=O)O)(N2CCCCC2)C1.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylazetidin-3-yl]acetic acid?
The InChIKey is SRRQAURKOGFANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-14(2,3)21-13(20)16-10-15(11-16,9-12(18)19)17-7-5-4-6-8-17/h4-11H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylazetidin-3-yl]acetic acid?
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylazetidin-3-yl]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylazetidin-3-yl]acetic acid is sourced from PubChem (CID 107141436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).