2-[1-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

C15H27NO5 — CID 60662836

IUPAC2-[1-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCOCCN(CCOC)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H27NO5/c1-20-9-7-16(8-10-21-2)13(17)11-15(12-14(18)19)5-3-4-6-15/h3-12H2,1-2H3,(H,18,19)
InChIKeySHZZEFWLFXEGSL-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.53
Rot. Bonds10

About 2-[1-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 60662836) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-[1-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID60662836
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name2-[1-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCOCCN(CCOC)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H27NO5/c1-20-9-7-16(8-10-21-2)13(17)11-15(12-14(18)19)5-3-4-6-15/h3-12H2,1-2H3,(H,18,19)
InChIKeySHZZEFWLFXEGSL-UHFFFAOYSA-N
XLogP1.53
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 60662836) is 2-[1-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is COCCN(CCOC)C(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is SHZZEFWLFXEGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-20-9-7-16(8-10-21-2)13(17)11-15(12-14(18)19)5-3-4-6-15/h3-12H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 301.38 g/mol, XLogP of 1.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 60662836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).