2-[3-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]azetidin-3-yl]oxyacetic acid

C16H27NO4 — CID 102657227

IUPAC2-[3-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]azetidin-3-yl]oxyacetic acid
SMILESCC(C)CC1(C(=O)N2CC(C)(OCC(=O)O)C2)CCCC1
InChIInChI=1S/C16H27NO4/c1-12(2)8-16(6-4-5-7-16)14(20)17-10-15(3,11-17)21-9-13(18)19/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyIBYNFKSQKLRIBX-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.30
Rot. Bonds6

About 2-[3-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]azetidin-3-yl]oxyacetic acid (PubChem CID 102657227) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[3-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]azetidin-3-yl]oxyacetic acid
PubChem CID102657227
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name2-[3-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]azetidin-3-yl]oxyacetic acid
SMILESCC(C)CC1(C(=O)N2CC(C)(OCC(=O)O)C2)CCCC1
InChIInChI=1S/C16H27NO4/c1-12(2)8-16(6-4-5-7-16)14(20)17-10-15(3,11-17)21-9-13(18)19/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyIBYNFKSQKLRIBX-UHFFFAOYSA-N
XLogP2.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]azetidin-3-yl]oxyacetic acid (CID 102657227) is 2-[3-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]azetidin-3-yl]oxyacetic acid is CC(C)CC1(C(=O)N2CC(C)(OCC(=O)O)C2)CCCC1.
What is the InChIKey of 2-[3-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]azetidin-3-yl]oxyacetic acid?
The InChIKey is IBYNFKSQKLRIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-12(2)8-16(6-4-5-7-16)14(20)17-10-15(3,11-17)21-9-13(18)19/h12H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 2-[3-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]azetidin-3-yl]oxyacetic acid has a molecular weight of 297.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[1-(2-methylpropyl)cyclopentanecarbonyl]azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).