3-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid

C11H17NO5 — CID 103550402

IUPAC3-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCOC(=O)CN(C)C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C11H17NO5/c1-12(6-9(13)17-2)10(14)7-3-4-8(5-7)11(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyFIBPZJDVCROANO-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.12
Rot. Bonds4

About 3-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid

3-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103550402) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103550402
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name3-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCOC(=O)CN(C)C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C11H17NO5/c1-12(6-9(13)17-2)10(14)7-3-4-8(5-7)11(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyFIBPZJDVCROANO-UHFFFAOYSA-N
XLogP0.12
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 103550402) is 3-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid is COC(=O)CN(C)C(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is FIBPZJDVCROANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-12(6-9(13)17-2)10(14)7-3-4-8(5-7)11(15)16/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid?
3-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).