2-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid

C14H23NO6 — CID 103978387

IUPAC2-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCOC(=O)CN(CCOC)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H23NO6/c1-3-21-12(16)9-15(7-8-20-2)13(17)10-5-4-6-11(10)14(18)19/h10-11H,3-9H2,1-2H3,(H,18,19)
InChIKeySOFJKRBIWORDQY-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.53
Rot. Bonds8

About 2-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid

2-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978387) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978387
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Name2-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCOC(=O)CN(CCOC)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H23NO6/c1-3-21-12(16)9-15(7-8-20-2)13(17)10-5-4-6-11(10)14(18)19/h10-11H,3-9H2,1-2H3,(H,18,19)
InChIKeySOFJKRBIWORDQY-UHFFFAOYSA-N
XLogP0.53
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103978387) is 2-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid is CCOC(=O)CN(CCOC)C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is SOFJKRBIWORDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO6/c1-3-21-12(16)9-15(7-8-20-2)13(17)10-5-4-6-11(10)14(18)19/h10-11H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 0.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).