2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid

C14H17NO3 — CID 112568608

IUPAC2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid
SMILESCCN(C(=O)Cc1ccccc1C(=O)O)C1CC1
InChIInChI=1S/C14H17NO3/c1-2-15(11-7-8-11)13(16)9-10-5-3-4-6-12(10)14(17)18/h3-6,11H,2,7-9H2,1H3,(H,17,18)
InChIKeyAUAQWQVCBGXXLZ-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.94
Rot. Bonds5

About 2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid

2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid (PubChem CID 112568608) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid
PubChem CID112568608
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid
SMILESCCN(C(=O)Cc1ccccc1C(=O)O)C1CC1
InChIInChI=1S/C14H17NO3/c1-2-15(11-7-8-11)13(16)9-10-5-3-4-6-12(10)14(17)18/h3-6,11H,2,7-9H2,1H3,(H,17,18)
InChIKeyAUAQWQVCBGXXLZ-UHFFFAOYSA-N
XLogP1.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[2-cyanoethyl(cyclopropyl)amino]-2-oxoethyl]benzoic acid
CID 104601447
2-[2-(diethylamino)-2-oxoethyl]benzoic acid
CID 115923676
2-[2-[cyclobutyl(3-hydroxypropyl)amino]-2-oxoethyl]benzoic acid
CID 102860796
2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid
CID 113354301
2-[2-[methyl(oxolan-3-yl)amino]-2-oxoethyl]benzoic acid
CID 104601736
2-[2-(dipropylamino)-2-oxoethyl]benzoic acid
CID 112568579
2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid
CID 115923550
3-(2-chlorophenyl)-N-cyclopropyl-N-ethylpropanamide
CID 51113060
2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid
CID 63956833
2-[2-[ethyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 120690659
2-ethylbenzoic acid;tungsten
CID 23518478
1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]indole-4-carboxylic acid
CID 61488702

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid (CID 112568608) is 2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid is CCN(C(=O)Cc1ccccc1C(=O)O)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid?
The InChIKey is AUAQWQVCBGXXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-15(11-7-8-11)13(16)9-10-5-3-4-6-12(10)14(17)18/h3-6,11H,2,7-9H2,1H3,(H,17,18).
What are the key properties of 2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid?
2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid has a molecular weight of 247.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 112568608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).