2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid

C15H17F2NO3 — CID 81163884

IUPAC2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)Cc2cccc(F)c2F)CCC1
InChIInChI=1S/C15H17F2NO3/c16-11-4-1-3-10(14(11)17)7-12(19)18-9-15(5-2-6-15)8-13(20)21/h1,3-4H,2,5-9H2,(H,18,19)(H,20,21)
InChIKeyFVBQCVSQTYUPTN-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.27
Rot. Bonds6

About 2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid

2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid (PubChem CID 81163884) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid
PubChem CID81163884
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)Cc2cccc(F)c2F)CCC1
InChIInChI=1S/C15H17F2NO3/c16-11-4-1-3-10(14(11)17)7-12(19)18-9-15(5-2-6-15)8-13(20)21/h1,3-4H,2,5-9H2,(H,18,19)(H,20,21)
InChIKeyFVBQCVSQTYUPTN-UHFFFAOYSA-N
XLogP2.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[(2,3,4-trifluorobenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165406
2-[1-[[(2-fluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81164735
2-(2,3-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890498
2-[1-[[[2-(4-hydroxyphenyl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81164329
2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 113293749
1-[[2-(2,3-difluorophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538773
2-[1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 115496519
2-[1-[(3-aminopropanoylamino)methyl]cyclobutyl]acetic acid
CID 81161274
2-[1-[[3-(2-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 107273261
1-[[3-(2,3-difluorophenyl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544257
1-[1-(aminomethyl)cyclohexyl]-3-(2,3-difluorophenyl)propan-2-one
CID 116614499
2-[1-[[(2,4-difluorophenyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81165102

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid (CID 81163884) is 2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)Cc2cccc(F)c2F)CCC1.
What is the InChIKey of 2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid?
The InChIKey is FVBQCVSQTYUPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c16-11-4-1-3-10(14(11)17)7-12(19)18-9-15(5-2-6-15)8-13(20)21/h1,3-4H,2,5-9H2,(H,18,19)(H,20,21).
What are the key properties of 2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid?
2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid has a molecular weight of 297.30 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81163884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).