2-(N-[2-(3-ethoxycyclobutyl)acetyl]anilino)acetic acid

C16H21NO4 — CID 103161788

IUPAC2-(N-[2-(3-ethoxycyclobutyl)acetyl]anilino)acetic acid
SMILESCCOC1CC(CC(=O)N(CC(=O)O)c2ccccc2)C1
InChIInChI=1S/C16H21NO4/c1-2-21-14-8-12(9-14)10-15(18)17(11-16(19)20)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,19,20)
InChIKeyAJXMFCAJOIPXCQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.31
Rot. Bonds7

About 2-(N-[2-(3-ethoxycyclobutyl)acetyl]anilino)acetic acid

2-(N-[2-(3-ethoxycyclobutyl)acetyl]anilino)acetic acid (PubChem CID 103161788) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(N-[2-(3-ethoxycyclobutyl)acetyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(N-[2-(3-ethoxycyclobutyl)acetyl]anilino)acetic acid
PubChem CID103161788
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-(N-[2-(3-ethoxycyclobutyl)acetyl]anilino)acetic acid
SMILESCCOC1CC(CC(=O)N(CC(=O)O)c2ccccc2)C1
InChIInChI=1S/C16H21NO4/c1-2-21-14-8-12(9-14)10-15(18)17(11-16(19)20)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,19,20)
InChIKeyAJXMFCAJOIPXCQ-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-(3-ethoxycyclobutyl)-N-phenylacetamide
CID 103161343
N-(4-aminophenyl)-2-(3-ethoxycyclobutyl)-N-propylacetamide
CID 103161636
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide
CID 79607499
N-[(2-aminophenyl)methyl]-2-(3-ethoxycyclobutyl)-N-methylacetamide
CID 103161521
1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone
CID 103167728
2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid
CID 60830957
2-[N-(12-methoxydodecanoyl)anilino]acetic acid
CID 19611757
2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid
CID 60826489
N-ethyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754675
2-(N-[2-(azetidin-3-yl)acetyl]-4-chloroanilino)acetic acid
CID 64611610
2-[N-(diethylcarbamoyl)anilino]acetic acid
CID 61187149
2-(N-[2-(prop-2-ynylamino)acetyl]anilino)acetic acid
CID 79287144

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(3-ethoxycyclobutyl)acetyl]anilino)acetic acid?
The IUPAC name of 2-(N-[2-(3-ethoxycyclobutyl)acetyl]anilino)acetic acid (CID 103161788) is 2-(N-[2-(3-ethoxycyclobutyl)acetyl]anilino)acetic acid.
What is the SMILES notation for 2-(N-[2-(3-ethoxycyclobutyl)acetyl]anilino)acetic acid?
The canonical SMILES for 2-(N-[2-(3-ethoxycyclobutyl)acetyl]anilino)acetic acid is CCOC1CC(CC(=O)N(CC(=O)O)c2ccccc2)C1.
What is the InChIKey of 2-(N-[2-(3-ethoxycyclobutyl)acetyl]anilino)acetic acid?
The InChIKey is AJXMFCAJOIPXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-21-14-8-12(9-14)10-15(18)17(11-16(19)20)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,19,20).
What are the key properties of 2-(N-[2-(3-ethoxycyclobutyl)acetyl]anilino)acetic acid?
2-(N-[2-(3-ethoxycyclobutyl)acetyl]anilino)acetic acid has a molecular weight of 291.35 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(3-ethoxycyclobutyl)acetyl]anilino)acetic acid is sourced from PubChem (CID 103161788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).