2-[[2-[(2,4-difluorobenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid

C14H16F2N2O4 — CID 139013505

IUPAC2-[[2-[(2,4-difluorobenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H16F2N2O4/c1-8(2)18(7-13(20)21)12(19)6-17-14(22)10-4-3-9(15)5-11(10)16/h3-5,8H,6-7H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyWICQZIQOQKTTGF-UHFFFAOYSA-N
MW314.29 g/mol
LogP1.02
Rot. Bonds6

About 2-[[2-[(2,4-difluorobenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid

2-[[2-[(2,4-difluorobenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid (PubChem CID 139013505) has the molecular formula C14H16F2N2O4 and a molecular weight of 314.29 g/mol. Its IUPAC name is 2-[[2-[(2,4-difluorobenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2,4-difluorobenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
PubChem CID139013505
Molecular FormulaC14H16F2N2O4
Molecular Weight314.29 g/mol
Exact Mass314.11
IUPAC Name2-[[2-[(2,4-difluorobenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H16F2N2O4/c1-8(2)18(7-13(20)21)12(19)6-17-14(22)10-4-3-9(15)5-11(10)16/h3-5,8H,6-7H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyWICQZIQOQKTTGF-UHFFFAOYSA-N
XLogP1.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 9480520
2-[butan-2-yl-(2,4-difluorobenzoyl)amino]acetic acid
CID 54925865
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
CID 120518304
2,4-difluoro-N-(2-methylprop-2-enyl)benzamide
CID 114618824
N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 112995050
N-[2-[cyanomethyl(propyl)amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 86796409
2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62034804
2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
CID 120518167
2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51192378
2-[[4-(3-fluorophenyl)-3-methyl-4-oxobutanoyl]-propan-2-ylamino]acetic acid
CID 120580755
N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 78838061

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,4-difluorobenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-[(2,4-difluorobenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid (CID 139013505) is 2-[[2-[(2,4-difluorobenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-[(2,4-difluorobenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-[(2,4-difluorobenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)CNC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-[[2-[(2,4-difluorobenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid?
The InChIKey is WICQZIQOQKTTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O4/c1-8(2)18(7-13(20)21)12(19)6-17-14(22)10-4-3-9(15)5-11(10)16/h3-5,8H,6-7H2,1-2H3,(H,17,22)(H,20,21).
What are the key properties of 2-[[2-[(2,4-difluorobenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid?
2-[[2-[(2,4-difluorobenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid has a molecular weight of 314.29 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,4-difluorobenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 139013505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).