2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid

C12H13F2NO2 — CID 55045230

IUPAC2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C12H13F2NO2/c13-9-2-1-8(11(14)5-9)6-15(7-12(16)17)10-3-4-10/h1-2,5,10H,3-4,6-7H2,(H,16,17)
InChIKeyGJWRAQPOUKXHKR-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.01
Rot. Bonds5

About 2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid

2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid (PubChem CID 55045230) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
PubChem CID55045230
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C12H13F2NO2/c13-9-2-1-8(11(14)5-9)6-15(7-12(16)17)10-3-4-10/h1-2,5,10H,3-4,6-7H2,(H,16,17)
InChIKeyGJWRAQPOUKXHKR-UHFFFAOYSA-N
XLogP2.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chloro-2-fluorophenyl)methyl-cyclopropylamino]acetic acid
CID 114850884
2-[carboxymethyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 63645803
2-[(4-cyano-2-fluorophenyl)methyl-cyclopentylamino]acetic acid
CID 60833177
2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 63679516
2-[cyclobutyl-[[2-fluoro-5-(hydroxymethyl)phenyl]methyl]amino]acetic acid
CID 138037839
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 26651079
2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 60503147
2-[(2-bromo-5-chlorophenyl)methyl-cyclopropylamino]acetic acid
CID 66156694
2-[(1,1-dioxothiolan-3-yl)-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid
CID 65059301
1-[[cyclopropyl(sulfamoyl)amino]methyl]-2,4-difluorobenzene
CID 112686080
2-[[cyclopropyl(ethyl)amino]methyl]-5-fluorobenzoic acid
CID 63289445
3-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]-N'-hydroxypropanimidamide
CID 76936916

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid (CID 55045230) is 2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid is O=C(O)CN(Cc1ccc(F)cc1F)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid?
The InChIKey is GJWRAQPOUKXHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-9-2-1-8(11(14)5-9)6-15(7-12(16)17)10-3-4-10/h1-2,5,10H,3-4,6-7H2,(H,16,17).
What are the key properties of 2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid?
2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid has a molecular weight of 241.24 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2,4-difluorophenyl)methyl]amino]acetic acid is sourced from PubChem (CID 55045230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).