2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid

C13H17FN2O3 — CID 103869280

IUPAC2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1ccc(N)cc1F
InChIInChI=1S/C13H17FN2O3/c1-8(2)6-16(7-12(17)18)13(19)10-4-3-9(15)5-11(10)14/h3-5,8H,6-7,15H2,1-2H3,(H,17,18)
InChIKeyKLEXBNAKOIEIAZ-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.59
Rot. Bonds5

About 2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid

2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 103869280) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
PubChem CID103869280
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1ccc(N)cc1F
InChIInChI=1S/C13H17FN2O3/c1-8(2)6-16(7-12(17)18)13(19)10-4-3-9(15)5-11(10)14/h3-5,8H,6-7,15H2,1-2H3,(H,17,18)
InChIKeyKLEXBNAKOIEIAZ-UHFFFAOYSA-N
XLogP1.59
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-amino-2-fluorobenzoyl)-(carboxymethyl)amino]acetic acid
CID 107794503
2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62034804
2-[(4-amino-2-fluorobenzoyl)-butan-2-ylamino]acetic acid
CID 107794261
2-[(4-amino-2-fluorobenzoyl)-tert-butylamino]acetic acid
CID 107794622
5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 61291739
2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 120517221
4-amino-2-chloro-N,N-bis(2-methylpropyl)benzamide
CID 43587105
2-[(2,3-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 114343332
5-amino-N-(2-amino-2-oxoethyl)-2,4-difluoro-N-(2-methylpropyl)benzamide
CID 61109173
5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 61094085
4-[(4-amino-2-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 113342355
2-[(4-chloro-2-nitrobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 63071854

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid (CID 103869280) is 2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)c1ccc(N)cc1F.
What is the InChIKey of 2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is KLEXBNAKOIEIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-8(2)6-16(7-12(17)18)13(19)10-4-3-9(15)5-11(10)14/h3-5,8H,6-7,15H2,1-2H3,(H,17,18).
What are the key properties of 2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid?
2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 268.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 103869280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).