2-[1-[2-(azepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid

C15H25NO3 — CID 3655381

IUPAC2-[1-[2-(azepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCCCCC2)CCCC1
InChIInChI=1S/C15H25NO3/c17-13(16-9-5-1-2-6-10-16)11-15(12-14(18)19)7-3-4-8-15/h1-12H2,(H,18,19)
InChIKeyYEBRAOIHMGHVRU-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.81
Rot. Bonds4

About 2-[1-[2-(azepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(azepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 3655381) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[1-[2-(azepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(azepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID3655381
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[1-[2-(azepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)N2CCCCCC2)CCCC1
InChIInChI=1S/C15H25NO3/c17-13(16-9-5-1-2-6-10-16)11-15(12-14(18)19)7-3-4-8-15/h1-12H2,(H,18,19)
InChIKeyYEBRAOIHMGHVRU-UHFFFAOYSA-N
XLogP2.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(azepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(azepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid (CID 3655381) is 2-[1-[2-(azepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(azepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(azepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)N2CCCCCC2)CCCC1.
What is the InChIKey of 2-[1-[2-(azepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is YEBRAOIHMGHVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-13(16-9-5-1-2-6-10-16)11-15(12-14(18)19)7-3-4-8-15/h1-12H2,(H,18,19).
What are the key properties of 2-[1-[2-(azepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(azepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 267.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(azepan-1-yl)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 3655381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).