2-[1-[2-oxo-2-[2-(oxolan-2-yl)ethylamino]ethyl]cyclopentyl]acetic acid

C15H25NO4 — CID 61070198

IUPAC2-[1-[2-oxo-2-[2-(oxolan-2-yl)ethylamino]ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCCC2CCCO2)CCCC1
InChIInChI=1S/C15H25NO4/c17-13(16-8-5-12-4-3-9-20-12)10-15(11-14(18)19)6-1-2-7-15/h12H,1-11H2,(H,16,17)(H,18,19)
InChIKeyDOQZDIQGQQKSBK-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.10
Rot. Bonds7

About 2-[1-[2-oxo-2-[2-(oxolan-2-yl)ethylamino]ethyl]cyclopentyl]acetic acid

2-[1-[2-oxo-2-[2-(oxolan-2-yl)ethylamino]ethyl]cyclopentyl]acetic acid (PubChem CID 61070198) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-[2-(oxolan-2-yl)ethylamino]ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-[2-(oxolan-2-yl)ethylamino]ethyl]cyclopentyl]acetic acid
PubChem CID61070198
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[1-[2-oxo-2-[2-(oxolan-2-yl)ethylamino]ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCCC2CCCO2)CCCC1
InChIInChI=1S/C15H25NO4/c17-13(16-8-5-12-4-3-9-20-12)10-15(11-14(18)19)6-1-2-7-15/h12H,1-11H2,(H,16,17)(H,18,19)
InChIKeyDOQZDIQGQQKSBK-UHFFFAOYSA-N
XLogP2.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-[2-(oxolan-2-yl)ethylamino]ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-[2-(oxolan-2-yl)ethylamino]ethyl]cyclopentyl]acetic acid (CID 61070198) is 2-[1-[2-oxo-2-[2-(oxolan-2-yl)ethylamino]ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-[2-(oxolan-2-yl)ethylamino]ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-[2-(oxolan-2-yl)ethylamino]ethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)NCCC2CCCO2)CCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-[2-(oxolan-2-yl)ethylamino]ethyl]cyclopentyl]acetic acid?
The InChIKey is DOQZDIQGQQKSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c17-13(16-8-5-12-4-3-9-20-12)10-15(11-14(18)19)6-1-2-7-15/h12H,1-11H2,(H,16,17)(H,18,19).
What are the key properties of 2-[1-[2-oxo-2-[2-(oxolan-2-yl)ethylamino]ethyl]cyclopentyl]acetic acid?
2-[1-[2-oxo-2-[2-(oxolan-2-yl)ethylamino]ethyl]cyclopentyl]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-[2-(oxolan-2-yl)ethylamino]ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61070198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).