2-(carboxymethylamino)-2-(3,4-difluorophenyl)acetic acid

C10H9F2NO4 — CID 84746691

IUPAC2-(carboxymethylamino)-2-(3,4-difluorophenyl)acetic acid
SMILESO=C(O)CNC(C(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2NO4/c11-6-2-1-5(3-7(6)12)9(10(16)17)13-4-8(14)15/h1-3,9,13H,4H2,(H,14,15)(H,16,17)
InChIKeyRGTPDSXEFRKKRF-UHFFFAOYSA-N
MW245.18 g/mol
LogP0.76
Rot. Bonds5

About 2-(carboxymethylamino)-2-(3,4-difluorophenyl)acetic acid

2-(carboxymethylamino)-2-(3,4-difluorophenyl)acetic acid (PubChem CID 84746691) has the molecular formula C10H9F2NO4 and a molecular weight of 245.18 g/mol. Its IUPAC name is 2-(carboxymethylamino)-2-(3,4-difluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(carboxymethylamino)-2-(3,4-difluorophenyl)acetic acid
PubChem CID84746691
Molecular FormulaC10H9F2NO4
Molecular Weight245.18 g/mol
Exact Mass245.05
IUPAC Name2-(carboxymethylamino)-2-(3,4-difluorophenyl)acetic acid
SMILESO=C(O)CNC(C(=O)O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2NO4/c11-6-2-1-5(3-7(6)12)9(10(16)17)13-4-8(14)15/h1-3,9,13H,4H2,(H,14,15)(H,16,17)
InChIKeyRGTPDSXEFRKKRF-UHFFFAOYSA-N
XLogP0.76
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butylamino)-2-(3,4-difluorophenyl)acetic acid
CID 84746692
2-(benzylamino)-2-(3,4-difluorophenyl)acetic acid
CID 60992267
2,2-bis(3,4-difluorophenyl)acetic acid
CID 20677452
2-(4-chlorobutanoylamino)-2-(3,4-difluorophenyl)acetic acid
CID 68691787
2-(cyclopentylamino)-2-(3,4-difluorophenyl)acetic acid
CID 54894138
3-[[carboxy-(4-chlorophenyl)methyl]amino]propanoic acid
CID 82344898
2-(3,4-difluorophenyl)-2-[(4-hydroxycyclohexyl)amino]acetic acid
CID 84746728
2-(3-fluoro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 63647938
methyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate
CID 60787024
2-bromo-2-(3,4-difluorophenyl)acetic acid
CID 22626650
2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid
CID 60993011
3-(3,4-difluorophenyl)-3-(methylamino)propanoic acid
CID 65236492

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethylamino)-2-(3,4-difluorophenyl)acetic acid?
The IUPAC name of 2-(carboxymethylamino)-2-(3,4-difluorophenyl)acetic acid (CID 84746691) is 2-(carboxymethylamino)-2-(3,4-difluorophenyl)acetic acid.
What is the SMILES notation for 2-(carboxymethylamino)-2-(3,4-difluorophenyl)acetic acid?
The canonical SMILES for 2-(carboxymethylamino)-2-(3,4-difluorophenyl)acetic acid is O=C(O)CNC(C(=O)O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(carboxymethylamino)-2-(3,4-difluorophenyl)acetic acid?
The InChIKey is RGTPDSXEFRKKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO4/c11-6-2-1-5(3-7(6)12)9(10(16)17)13-4-8(14)15/h1-3,9,13H,4H2,(H,14,15)(H,16,17).
What are the key properties of 2-(carboxymethylamino)-2-(3,4-difluorophenyl)acetic acid?
2-(carboxymethylamino)-2-(3,4-difluorophenyl)acetic acid has a molecular weight of 245.18 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethylamino)-2-(3,4-difluorophenyl)acetic acid is sourced from PubChem (CID 84746691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).