2-[1-[2-[(2-methyloxolan-3-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid

C14H23NO4 — CID 82725733

IUPAC2-[1-[2-[(2-methyloxolan-3-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC1OCCC1NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H23NO4/c1-10-11(4-7-19-10)15-12(16)8-14(9-13(17)18)5-2-3-6-14/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyYXSFVGXCKRBBRS-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.71
Rot. Bonds5

About 2-[1-[2-[(2-methyloxolan-3-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[(2-methyloxolan-3-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 82725733) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[1-[2-[(2-methyloxolan-3-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(2-methyloxolan-3-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID82725733
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-[1-[2-[(2-methyloxolan-3-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCC1OCCC1NC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H23NO4/c1-10-11(4-7-19-10)15-12(16)8-14(9-13(17)18)5-2-3-6-14/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyYXSFVGXCKRBBRS-UHFFFAOYSA-N
XLogP1.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2-methyloxolan-3-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(2-methyloxolan-3-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 82725733) is 2-[1-[2-[(2-methyloxolan-3-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(2-methyloxolan-3-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(2-methyloxolan-3-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid is CC1OCCC1NC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[(2-methyloxolan-3-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is YXSFVGXCKRBBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10-11(4-7-19-10)15-12(16)8-14(9-13(17)18)5-2-3-6-14/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[1-[2-[(2-methyloxolan-3-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(2-methyloxolan-3-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(2-methyloxolan-3-yl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 82725733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).