2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid

C10H9F3N2O3 — CID 66270672

IUPAC2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid
SMILESNCC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)5-1-2-7(15-8(16)4-14)6(3-5)9(17)18/h1-3H,4,14H2,(H,15,16)(H,17,18)
InChIKeyPFPPUPVKSMMOHO-UHFFFAOYSA-N
MW262.19 g/mol
LogP1.30
Rot. Bonds3

About 2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid

2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid (PubChem CID 66270672) has the molecular formula C10H9F3N2O3 and a molecular weight of 262.19 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid
PubChem CID66270672
Molecular FormulaC10H9F3N2O3
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC Name2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid
SMILESNCC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)5-1-2-7(15-8(16)4-14)6(3-5)9(17)18/h1-3H,4,14H2,(H,15,16)(H,17,18)
InChIKeyPFPPUPVKSMMOHO-UHFFFAOYSA-N
XLogP1.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylbutanoylamino)-5-(trifluoromethyl)benzoic acid
CID 66269531
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 43707397
2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
CID 22268814
2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid
CID 61158198
2-(2-methylpropanoylamino)-5-(trifluoromethyl)benzoic acid
CID 66270088
2-(propylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
CID 66269363
2-(azetidine-1-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 22143302
2-[[2-methyl-3-(methylamino)propanoyl]amino]-5-(trifluoromethyl)benzoic acid
CID 79203995
2-[(2-hydroxy-2-methylpropyl)amino]-5-(trifluoromethyl)benzoic acid
CID 114093515
2-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 119290968
2-(butan-2-ylamino)-5-(trifluoromethyl)benzoic acid
CID 62711635
2-(2H-triazole-4-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 66270274

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid (CID 66270672) is 2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid is NCC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)O.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid?
The InChIKey is PFPPUPVKSMMOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3/c11-10(12,13)5-1-2-7(15-8(16)4-14)6(3-5)9(17)18/h1-3H,4,14H2,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid?
2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid has a molecular weight of 262.19 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-5-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 66270672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).