2-[cyclopropyl-(2,4-difluoro-5-methylbenzoyl)amino]acetic acid

C13H13F2NO3 — CID 113396470

IUPAC2-[cyclopropyl-(2,4-difluoro-5-methylbenzoyl)amino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)C2CC2)c(F)cc1F
InChIInChI=1S/C13H13F2NO3/c1-7-4-9(11(15)5-10(7)14)13(19)16(6-12(17)18)8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,17,18)
InChIKeyAPGSEXOLBPBDCT-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.96
Rot. Bonds4

About 2-[cyclopropyl-(2,4-difluoro-5-methylbenzoyl)amino]acetic acid

2-[cyclopropyl-(2,4-difluoro-5-methylbenzoyl)amino]acetic acid (PubChem CID 113396470) has the molecular formula C13H13F2NO3 and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-[cyclopropyl-(2,4-difluoro-5-methylbenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2,4-difluoro-5-methylbenzoyl)amino]acetic acid
PubChem CID113396470
Molecular FormulaC13H13F2NO3
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name2-[cyclopropyl-(2,4-difluoro-5-methylbenzoyl)amino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)C2CC2)c(F)cc1F
InChIInChI=1S/C13H13F2NO3/c1-7-4-9(11(15)5-10(7)14)13(19)16(6-12(17)18)8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,17,18)
InChIKeyAPGSEXOLBPBDCT-UHFFFAOYSA-N
XLogP1.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-difluoro-5-methylbenzoyl)-(1-methylsulfonylpiperidin-4-yl)amino]acetic acid
CID 128968675
2-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]acetic acid
CID 63210029
2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
CID 103586733
2-[cyclopropyl-(2-fluoro-3-methyl-5-nitrobenzoyl)amino]acetic acid
CID 103296969
2-[cyclopropyl-(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
CID 54945910
N-(azetidin-3-yl)-2,4-difluoro-N,5-dimethylbenzamide
CID 113396529
2-[(4-chloro-2-fluorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 119211140
2-[(4-bromo-3-methylbenzoyl)-cyclopropylamino]acetic acid
CID 113396633
ethyl 2-[cyclopropyl-(2-fluoro-5-methylbenzoyl)amino]acetate
CID 62510142
2-[cyclopropyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid
CID 65462619
3-[cyclopropyl-(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 63209469
2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid
CID 60826114

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2,4-difluoro-5-methylbenzoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(2,4-difluoro-5-methylbenzoyl)amino]acetic acid (CID 113396470) is 2-[cyclopropyl-(2,4-difluoro-5-methylbenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(2,4-difluoro-5-methylbenzoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(2,4-difluoro-5-methylbenzoyl)amino]acetic acid is Cc1cc(C(=O)N(CC(=O)O)C2CC2)c(F)cc1F.
What is the InChIKey of 2-[cyclopropyl-(2,4-difluoro-5-methylbenzoyl)amino]acetic acid?
The InChIKey is APGSEXOLBPBDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO3/c1-7-4-9(11(15)5-10(7)14)13(19)16(6-12(17)18)8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopropyl-(2,4-difluoro-5-methylbenzoyl)amino]acetic acid?
2-[cyclopropyl-(2,4-difluoro-5-methylbenzoyl)amino]acetic acid has a molecular weight of 269.25 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2,4-difluoro-5-methylbenzoyl)amino]acetic acid is sourced from PubChem (CID 113396470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).