2-[(2-amino-2-oxoethyl)-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid

C12H14F2N2O4 — CID 107440320

IUPAC2-[(2-amino-2-oxoethyl)-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)Cc1ccccc1OC(F)F
InChIInChI=1S/C12H14F2N2O4/c13-12(14)20-9-4-2-1-3-8(9)5-16(6-10(15)17)7-11(18)19/h1-4,12H,5-7H2,(H2,15,17)(H,18,19)
InChIKeyUEAGKCRJDHQHBK-UHFFFAOYSA-N
MW288.25 g/mol
LogP0.66
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid (PubChem CID 107440320) has the molecular formula C12H14F2N2O4 and a molecular weight of 288.25 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid
PubChem CID107440320
Molecular FormulaC12H14F2N2O4
Molecular Weight288.25 g/mol
Exact Mass288.09
IUPAC Name2-[(2-amino-2-oxoethyl)-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)Cc1ccccc1OC(F)F
InChIInChI=1S/C12H14F2N2O4/c13-12(14)20-9-4-2-1-3-8(9)5-16(6-10(15)17)7-11(18)19/h1-4,12H,5-7H2,(H2,15,17)(H,18,19)
InChIKeyUEAGKCRJDHQHBK-UHFFFAOYSA-N
XLogP0.66
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[carboxymethyl-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 63644790
2-[(2-amino-2-oxoethyl)-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 107440793
3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propanoic acid
CID 61011180
2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62022488
2-[(2-amino-2-oxoethyl)-[(2-chlorophenyl)methyl]amino]acetic acid
CID 107440102
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120872284
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine
CID 62681478
2-[(2-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide
CID 54939184
2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 39385257
3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol
CID 115666360
2-[(2-amino-2-oxoethyl)-[2-(2-nitrophenyl)ethyl]amino]acetic acid
CID 107440708
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 107113368

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid (CID 107440320) is 2-[(2-amino-2-oxoethyl)-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid is NC(=O)CN(CC(=O)O)Cc1ccccc1OC(F)F.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid?
The InChIKey is UEAGKCRJDHQHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O4/c13-12(14)20-9-4-2-1-3-8(9)5-16(6-10(15)17)7-11(18)19/h1-4,12H,5-7H2,(H2,15,17)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid has a molecular weight of 288.25 g/mol, XLogP of 0.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid is sourced from PubChem (CID 107440320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).