2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid

C13H15F2NO3 — CID 62034804

IUPAC2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2NO3/c1-8(2)6-16(7-12(17)18)13(19)10-4-3-9(14)5-11(10)15/h3-5,8H,6-7H2,1-2H3,(H,17,18)
InChIKeyGOCCSFFBQKFMQG-UHFFFAOYSA-N
MW271.26 g/mol
LogP2.15
Rot. Bonds5

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

2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 62034804) has the molecular formula C13H15F2NO3 and a molecular weight of 271.26 g/mol. Its IUPAC name is 2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid
PubChem CID62034804
Molecular FormulaC13H15F2NO3
Molecular Weight271.26 g/mol
Exact Mass271.10
IUPAC Name2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2NO3/c1-8(2)6-16(7-12(17)18)13(19)10-4-3-9(14)5-11(10)15/h3-5,8H,6-7H2,1-2H3,(H,17,18)
InChIKeyGOCCSFFBQKFMQG-UHFFFAOYSA-N
XLogP2.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 103869280
4-fluoro-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 112702512
2-[(7-fluoro-2-methylquinoline-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 119192837
2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid
CID 43655083
2-[butan-2-yl-(2,4-difluorobenzoyl)amino]acetic acid
CID 54925865
2-[(2,4-difluorobenzoyl)-prop-2-enylamino]acetic acid
CID 79263026
2-[(5-acetamido-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 120517221
2-[(2,3-dihydroxybenzoyl)-(2-methylpropyl)amino]acetic acid
CID 114343332
3-[(2,4-difluorobenzoyl)-methylamino]-2-methylpropanoic acid
CID 55008235
2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide
CID 60962629
N-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide
CID 54987846
2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid
CID 107674770

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid (CID 62034804) is 2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is GOCCSFFBQKFMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO3/c1-8(2)6-16(7-12(17)18)13(19)10-4-3-9(14)5-11(10)15/h3-5,8H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid?
2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 271.26 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 62034804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).