2-[4-[[2-(3-ethoxycyclobutyl)acetyl]amino]phenyl]acetic acid

C16H21NO4 — CID 103161737

IUPAC2-[4-[[2-(3-ethoxycyclobutyl)acetyl]amino]phenyl]acetic acid
SMILESCCOC1CC(CC(=O)Nc2ccc(CC(=O)O)cc2)C1
InChIInChI=1S/C16H21NO4/c1-2-21-14-7-12(8-14)9-15(18)17-13-5-3-11(4-6-13)10-16(19)20/h3-6,12,14H,2,7-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyZOSPIMVQSWGUBC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.46
Rot. Bonds7

About 2-[4-[[2-(3-ethoxycyclobutyl)acetyl]amino]phenyl]acetic acid

2-[4-[[2-(3-ethoxycyclobutyl)acetyl]amino]phenyl]acetic acid (PubChem CID 103161737) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[4-[[2-(3-ethoxycyclobutyl)acetyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(3-ethoxycyclobutyl)acetyl]amino]phenyl]acetic acid
PubChem CID103161737
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[4-[[2-(3-ethoxycyclobutyl)acetyl]amino]phenyl]acetic acid
SMILESCCOC1CC(CC(=O)Nc2ccc(CC(=O)O)cc2)C1
InChIInChI=1S/C16H21NO4/c1-2-21-14-7-12(8-14)9-15(18)17-13-5-3-11(4-6-13)10-16(19)20/h3-6,12,14H,2,7-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyZOSPIMVQSWGUBC-UHFFFAOYSA-N
XLogP2.46
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338759
2-(3-ethoxycyclobutyl)-N-(4-sulfamoylphenyl)acetamide
CID 103164408
N-(3-amino-4-ethylphenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161581
2-(3-ethoxycyclobutyl)-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 103166077
2-bromo-5-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid
CID 103162104
N-(4-amino-3-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103161664
3-bromo-5-[[2-(3-ethoxycyclobutyl)acetyl]amino]benzoic acid
CID 103162083
N-(3-cyano-4-fluorophenyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103163570
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]acetic acid
CID 103161702
2-[4-[3-(ethylamino)propanoylamino]phenyl]acetic acid
CID 62835723
2-(3-ethoxycyclobutyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 107861181
2-[(3-ethoxycyclobutyl)amino]-N-phenylacetamide
CID 103921112

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-ethoxycyclobutyl)acetyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[2-(3-ethoxycyclobutyl)acetyl]amino]phenyl]acetic acid (CID 103161737) is 2-[4-[[2-(3-ethoxycyclobutyl)acetyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(3-ethoxycyclobutyl)acetyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[2-(3-ethoxycyclobutyl)acetyl]amino]phenyl]acetic acid is CCOC1CC(CC(=O)Nc2ccc(CC(=O)O)cc2)C1.
What is the InChIKey of 2-[4-[[2-(3-ethoxycyclobutyl)acetyl]amino]phenyl]acetic acid?
The InChIKey is ZOSPIMVQSWGUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-21-14-7-12(8-14)9-15(18)17-13-5-3-11(4-6-13)10-16(19)20/h3-6,12,14H,2,7-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[4-[[2-(3-ethoxycyclobutyl)acetyl]amino]phenyl]acetic acid?
2-[4-[[2-(3-ethoxycyclobutyl)acetyl]amino]phenyl]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-ethoxycyclobutyl)acetyl]amino]phenyl]acetic acid is sourced from PubChem (CID 103161737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).