2-amino-3-(2,5-difluoroanilino)propanoic acid

C9H10F2N2O2 — CID 103232824

IUPAC2-amino-3-(2,5-difluoroanilino)propanoic acid
SMILESNC(CNc1cc(F)ccc1F)C(=O)O
InChIInChI=1S/C9H10F2N2O2/c10-5-1-2-6(11)8(3-5)13-4-7(12)9(14)15/h1-3,7,13H,4,12H2,(H,14,15)
InChIKeyKGWJNUZUXRXOEI-UHFFFAOYSA-N
MW216.19 g/mol
LogP0.79
Rot. Bonds4

About 2-amino-3-(2,5-difluoroanilino)propanoic acid

2-amino-3-(2,5-difluoroanilino)propanoic acid (PubChem CID 103232824) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2-amino-3-(2,5-difluoroanilino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,5-difluoroanilino)propanoic acid
PubChem CID103232824
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name2-amino-3-(2,5-difluoroanilino)propanoic acid
SMILESNC(CNc1cc(F)ccc1F)C(=O)O
InChIInChI=1S/C9H10F2N2O2/c10-5-1-2-6(11)8(3-5)13-4-7(12)9(14)15/h1-3,7,13H,4,12H2,(H,14,15)
InChIKeyKGWJNUZUXRXOEI-UHFFFAOYSA-N
XLogP0.79
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(2,5-difluoroanilino)propanamide
CID 103232837
methyl 2-[(2,5-difluoroanilino)methyl]-3-methylbutanoate
CID 115253297
3-amino-4-(2,4-difluoroanilino)butanoic acid
CID 115241465
2-amino-4-[2-(2,5-difluoroanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 60930352
2-amino-3-(4-bromo-5-fluoro-2-methylanilino)propanoic acid
CID 103267499
3-(2-chloro-5-fluoroanilino)-2-methylpropanoic acid
CID 107528138
2-[(2,5-difluoroanilino)methyl]-3-methylbutan-1-ol
CID 115251833
1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol
CID 60897122
(2S)-2-[(2,5-difluorophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61182472
methyl 2-(2,5-difluoroanilino)acetate
CID 28574625
2-amino-3-(2,3,4-trifluoroanilino)propanamide
CID 103232798
3-(2,5-difluoroanilino)-2-methylpropanenitrile
CID 43367507

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,5-difluoroanilino)propanoic acid?
The IUPAC name of 2-amino-3-(2,5-difluoroanilino)propanoic acid (CID 103232824) is 2-amino-3-(2,5-difluoroanilino)propanoic acid.
What is the SMILES notation for 2-amino-3-(2,5-difluoroanilino)propanoic acid?
The canonical SMILES for 2-amino-3-(2,5-difluoroanilino)propanoic acid is NC(CNc1cc(F)ccc1F)C(=O)O.
What is the InChIKey of 2-amino-3-(2,5-difluoroanilino)propanoic acid?
The InChIKey is KGWJNUZUXRXOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c10-5-1-2-6(11)8(3-5)13-4-7(12)9(14)15/h1-3,7,13H,4,12H2,(H,14,15).
What are the key properties of 2-amino-3-(2,5-difluoroanilino)propanoic acid?
2-amino-3-(2,5-difluoroanilino)propanoic acid has a molecular weight of 216.19 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,5-difluoroanilino)propanoic acid is sourced from PubChem (CID 103232824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).