5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid

C10H10FN3O4 — CID 61187824

IUPAC5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid
SMILESNC(=O)CNC(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C10H10FN3O4/c11-7-2-1-5(3-6(7)9(16)17)14-10(18)13-4-8(12)15/h1-3H,4H2,(H2,12,15)(H,16,17)(H2,13,14,18)
InChIKeyRGPCFMLMAWOECU-UHFFFAOYSA-N
MW255.20 g/mol
LogP0.13
Rot. Bonds4

About 5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid

5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid (PubChem CID 61187824) has the molecular formula C10H10FN3O4 and a molecular weight of 255.20 g/mol. Its IUPAC name is 5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid
PubChem CID61187824
Molecular FormulaC10H10FN3O4
Molecular Weight255.20 g/mol
Exact Mass255.07
IUPAC Name5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid
SMILESNC(=O)CNC(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C10H10FN3O4/c11-7-2-1-5(3-6(7)9(16)17)14-10(18)13-4-8(12)15/h1-3H,4H2,(H2,12,15)(H,16,17)(H2,13,14,18)
InChIKeyRGPCFMLMAWOECU-UHFFFAOYSA-N
XLogP0.13
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-aminopropylcarbamoylamino)-2-fluorobenzoic acid
CID 62273492
5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
CID 60827610
2-fluoro-5-(pyridin-4-ylmethylcarbamoylamino)benzoic acid
CID 61196451
5-(cyclobutylmethylcarbamoylamino)-2-fluorobenzoic acid
CID 61199881
2-fluoro-5-(2-methylsulfanylpropylcarbamoylamino)benzoic acid
CID 113466748
2-fluoro-5-(propylcarbamoylamino)benzamide
CID 47203145
2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191402
2-fluoro-5-(pyrimidin-5-ylcarbamoylamino)benzoic acid
CID 107589277
5-(4-aminobutanoylamino)-2-fluorobenzoic acid
CID 43712178
4-(2-aminoethylcarbamoylamino)-2-fluorobenzoic acid
CID 107796038
2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 114002321
5-[(2-amino-2-oxoethyl)carbamoylamino]benzene-1,3-dicarboxylic acid
CID 61187988

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid?
The IUPAC name of 5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid (CID 61187824) is 5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid.
What is the SMILES notation for 5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid?
The canonical SMILES for 5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid is NC(=O)CNC(=O)Nc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid?
The InChIKey is RGPCFMLMAWOECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O4/c11-7-2-1-5(3-6(7)9(16)17)14-10(18)13-4-8(12)15/h1-3H,4H2,(H2,12,15)(H,16,17)(H2,13,14,18).
What are the key properties of 5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid?
5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid has a molecular weight of 255.20 g/mol, XLogP of 0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid is sourced from PubChem (CID 61187824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).