2-[1-[(2,6-difluoro-3-methylphenyl)carbamoylamino]cyclobutyl]acetic acid

C14H16F2N2O3 — CID 82801440

IUPAC2-[1-[(2,6-difluoro-3-methylphenyl)carbamoylamino]cyclobutyl]acetic acid
SMILESCc1ccc(F)c(NC(=O)NC2(CC(=O)O)CCC2)c1F
InChIInChI=1S/C14H16F2N2O3/c1-8-3-4-9(15)12(11(8)16)17-13(21)18-14(5-2-6-14)7-10(19)20/h3-4H,2,5-7H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyQLIGITLRVCHKBY-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.79
Rot. Bonds4

About 2-[1-[(2,6-difluoro-3-methylphenyl)carbamoylamino]cyclobutyl]acetic acid

2-[1-[(2,6-difluoro-3-methylphenyl)carbamoylamino]cyclobutyl]acetic acid (PubChem CID 82801440) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-[1-[(2,6-difluoro-3-methylphenyl)carbamoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,6-difluoro-3-methylphenyl)carbamoylamino]cyclobutyl]acetic acid
PubChem CID82801440
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name2-[1-[(2,6-difluoro-3-methylphenyl)carbamoylamino]cyclobutyl]acetic acid
SMILESCc1ccc(F)c(NC(=O)NC2(CC(=O)O)CCC2)c1F
InChIInChI=1S/C14H16F2N2O3/c1-8-3-4-9(15)12(11(8)16)17-13(21)18-14(5-2-6-14)7-10(19)20/h3-4H,2,5-7H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyQLIGITLRVCHKBY-UHFFFAOYSA-N
XLogP2.79
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2,5-difluoro-4-methylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 103586712
2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845476
2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 81480559
2-[1-[(3-chloro-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845572
2-[1-[(4-bromo-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845281
2-[1-[(4-bromo-3-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79851397
2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid
CID 64672747
2-[1-[(2-methylsulfanylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 107642357
2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid
CID 64699643
(2S)-2-[(2,6-difluoro-3-methylphenyl)carbamoylamino]propanoic acid
CID 82819574
2-[1-(thiophen-3-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851631
1-amino-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1-carboxamide
CID 82818742

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,6-difluoro-3-methylphenyl)carbamoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2,6-difluoro-3-methylphenyl)carbamoylamino]cyclobutyl]acetic acid (CID 82801440) is 2-[1-[(2,6-difluoro-3-methylphenyl)carbamoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,6-difluoro-3-methylphenyl)carbamoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2,6-difluoro-3-methylphenyl)carbamoylamino]cyclobutyl]acetic acid is Cc1ccc(F)c(NC(=O)NC2(CC(=O)O)CCC2)c1F.
What is the InChIKey of 2-[1-[(2,6-difluoro-3-methylphenyl)carbamoylamino]cyclobutyl]acetic acid?
The InChIKey is QLIGITLRVCHKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-8-3-4-9(15)12(11(8)16)17-13(21)18-14(5-2-6-14)7-10(19)20/h3-4H,2,5-7H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[1-[(2,6-difluoro-3-methylphenyl)carbamoylamino]cyclobutyl]acetic acid?
2-[1-[(2,6-difluoro-3-methylphenyl)carbamoylamino]cyclobutyl]acetic acid has a molecular weight of 298.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,6-difluoro-3-methylphenyl)carbamoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 82801440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).