2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid

C14H18N2O3 — CID 79854322

IUPAC2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid
SMILESNC1(CC(=O)Nc2cccc(CC(=O)O)c2)CCC1
InChIInChI=1S/C14H18N2O3/c15-14(5-2-6-14)9-12(17)16-11-4-1-3-10(7-11)8-13(18)19/h1,3-4,7H,2,5-6,8-9,15H2,(H,16,17)(H,18,19)
InChIKeyYLECCXJFCCHAJK-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.52
Rot. Bonds5

About 2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid

2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid (PubChem CID 79854322) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid
PubChem CID79854322
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid
SMILESNC1(CC(=O)Nc2cccc(CC(=O)O)c2)CCC1
InChIInChI=1S/C14H18N2O3/c15-14(5-2-6-14)9-12(17)16-11-4-1-3-10(7-11)8-13(18)19/h1,3-4,7H,2,5-6,8-9,15H2,(H,16,17)(H,18,19)
InChIKeyYLECCXJFCCHAJK-UHFFFAOYSA-N
XLogP1.52
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide
CID 79843543
2-(1-aminocyclopentyl)-N-(3-chlorophenyl)acetamide
CID 64685930
2-(1-aminocyclobutyl)-N-(3-cyanophenyl)acetamide
CID 79851880
2-(1-aminocyclobutyl)-N-(3-sulfamoylphenyl)acetamide
CID 79851568
2-[3-[[1-(2,6-difluorophenyl)cyclobutanecarbonyl]amino]phenyl]acetic acid
CID 122108126
N-(3-acetylphenyl)-2-(1-aminocyclopentyl)acetamide
CID 64679643
3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide
CID 64678413
2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119352047
2-[3-[[2-[1-(methylsulfonylmethyl)cyclopropyl]acetyl]amino]phenyl]acetic acid
CID 119352055
2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
CID 28759486
2-[3-(3-aminobutanoylamino)phenyl]acetic acid
CID 65349953
2-(1-aminocyclohexyl)-N-(3-sulfamoylphenyl)acetamide
CID 64683337

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid (CID 79854322) is 2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid is NC1(CC(=O)Nc2cccc(CC(=O)O)c2)CCC1.
What is the InChIKey of 2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid?
The InChIKey is YLECCXJFCCHAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-14(5-2-6-14)9-12(17)16-11-4-1-3-10(7-11)8-13(18)19/h1,3-4,7H,2,5-6,8-9,15H2,(H,16,17)(H,18,19).
What are the key properties of 2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid?
2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid is sourced from PubChem (CID 79854322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).