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

C9H10F2N2O2 — CID 130492143

IUPAC3-amino-2-(3,5-difluoroanilino)propanoic acid
SMILESNCC(Nc1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C9H10F2N2O2/c10-5-1-6(11)3-7(2-5)13-8(4-12)9(14)15/h1-3,8,13H,4,12H2,(H,14,15)
InChIKeyKTFJNMDECXHFIU-UHFFFAOYSA-N
MW216.19 g/mol
LogP0.79
Rot. Bonds4

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

3-amino-2-(3,5-difluoroanilino)propanoic acid (PubChem CID 130492143) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 3-amino-2-(3,5-difluoroanilino)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(3,5-difluoroanilino)propanoic acid
PubChem CID130492143
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name3-amino-2-(3,5-difluoroanilino)propanoic acid
SMILESNCC(Nc1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C9H10F2N2O2/c10-5-1-6(11)3-7(2-5)13-8(4-12)9(14)15/h1-3,8,13H,4,12H2,(H,14,15)
InChIKeyKTFJNMDECXHFIU-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

3-amino-2-(2,4-difluoroanilino)propanoic acid
CID 130492138
3-amino-2-[(5-bromo-3-pyridinyl)amino]propanoic acid
CID 130492216
3-amino-2-[4-(trifluoromethoxy)anilino]propanoic acid
CID 114242256
3-amino-2-(2,5-dimethylanilino)propanoic acid
CID 130492136
3-amino-4-(3,5-difluoroanilino)-4-oxobutanoic acid
CID 64896445
(2S)-2-(3-fluoro-5-methylanilino)non-8-enoic acid
CID 58176953
(2S)-2-[(3,5-difluorophenyl)carbamoylamino]pentanedioic acid
CID 61189405
2-[(3,5-difluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61243994
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 61141715
methyl 2-(3-fluoro-5-methylanilino)pentanoate
CID 79050514
N'-(3,5-difluorophenyl)ethane-1,2-diamine
CID 11116511
2-(3-fluoroanilino)-4-phenylbutanoic acid
CID 62880426

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,5-difluoroanilino)propanoic acid?
The IUPAC name of 3-amino-2-(3,5-difluoroanilino)propanoic acid (CID 130492143) is 3-amino-2-(3,5-difluoroanilino)propanoic acid.
What is the SMILES notation for 3-amino-2-(3,5-difluoroanilino)propanoic acid?
The canonical SMILES for 3-amino-2-(3,5-difluoroanilino)propanoic acid is NCC(Nc1cc(F)cc(F)c1)C(=O)O.
What is the InChIKey of 3-amino-2-(3,5-difluoroanilino)propanoic acid?
The InChIKey is KTFJNMDECXHFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c10-5-1-6(11)3-7(2-5)13-8(4-12)9(14)15/h1-3,8,13H,4,12H2,(H,14,15).
What are the key properties of 3-amino-2-(3,5-difluoroanilino)propanoic acid?
3-amino-2-(3,5-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 3-amino-2-(3,5-difluoroanilino)propanoic acid is sourced from PubChem (CID 130492143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).