2-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxylic acid

C16H21NO4 — CID 82228535

IUPAC2-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxylic acid
SMILESCCN(CC)C(=O)COc1ccc(C2CC2C(=O)O)cc1
InChIInChI=1S/C16H21NO4/c1-3-17(4-2)15(18)10-21-12-7-5-11(6-8-12)13-9-14(13)16(19)20/h5-8,13-14H,3-4,9-10H2,1-2H3,(H,19,20)
InChIKeyWXKMBNZANNZRMW-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.12
Rot. Bonds7

About 2-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxylic acid

2-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 82228535) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxylic acid
PubChem CID82228535
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxylic acid
SMILESCCN(CC)C(=O)COc1ccc(C2CC2C(=O)O)cc1
InChIInChI=1S/C16H21NO4/c1-3-17(4-2)15(18)10-21-12-7-5-11(6-8-12)13-9-14(13)16(19)20/h5-8,13-14H,3-4,9-10H2,1-2H3,(H,19,20)
InChIKeyWXKMBNZANNZRMW-UHFFFAOYSA-N
XLogP2.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxylic acid (CID 82228535) is 2-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxylic acid is CCN(CC)C(=O)COc1ccc(C2CC2C(=O)O)cc1.
What is the InChIKey of 2-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is WXKMBNZANNZRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-17(4-2)15(18)10-21-12-7-5-11(6-8-12)13-9-14(13)16(19)20/h5-8,13-14H,3-4,9-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxylic acid?
2-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82228535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).