5-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid

C15H18ClNO4 — CID 103161729

IUPAC5-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid
SMILESCCOC1CC(CC(=O)Nc2ccc(Cl)cc2C(=O)O)C1
InChIInChI=1S/C15H18ClNO4/c1-2-21-11-5-9(6-11)7-14(18)17-13-4-3-10(16)8-12(13)15(19)20/h3-4,8-9,11H,2,5-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyFPDGSDFSDHHFNY-UHFFFAOYSA-N
MW311.76 g/mol
LogP3.18
Rot. Bonds6

About 5-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid

5-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid (PubChem CID 103161729) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 5-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid
PubChem CID103161729
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name5-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid
SMILESCCOC1CC(CC(=O)Nc2ccc(Cl)cc2C(=O)O)C1
InChIInChI=1S/C15H18ClNO4/c1-2-21-11-5-9(6-11)7-14(18)17-13-4-3-10(16)8-12(13)15(19)20/h3-4,8-9,11H,2,5-7H2,1H3,(H,17,18)(H,19,20)
InChIKeyFPDGSDFSDHHFNY-UHFFFAOYSA-N
XLogP3.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 107697268
3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-methylbenzoic acid
CID 103161884
N-(2-bromo-4-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 138015104
N-(3,5-dichloro-2-hydroxyphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103279698
2-bromo-5-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid
CID 103162104
N-[2-(chloromethyl)phenyl]-2-(3-ethoxycyclobutyl)acetamide
CID 103166704
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-5-chlorobenzoic acid
CID 43078867
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]pyridine-4-carboxylic acid
CID 103161966
2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid
CID 61158198
N-(2-bromo-5-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103270141
5-chloro-2-[(2-pyrrolidin-2-ylacetyl)amino]benzoic acid
CID 61365655
5-chloro-2-(cyclopropylmethylcarbamoylamino)benzoic acid
CID 61182658

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid?
The IUPAC name of 5-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid (CID 103161729) is 5-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid is CCOC1CC(CC(=O)Nc2ccc(Cl)cc2C(=O)O)C1.
What is the InChIKey of 5-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid?
The InChIKey is FPDGSDFSDHHFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-2-21-11-5-9(6-11)7-14(18)17-13-4-3-10(16)8-12(13)15(19)20/h3-4,8-9,11H,2,5-7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid?
5-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid has a molecular weight of 311.76 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 103161729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).