(2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid

C11H11F2NO3 — CID 58627720

IUPAC(2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C11H11F2NO3/c1-6(11(16)17)14-10(15)4-7-2-8(12)5-9(13)3-7/h2-3,5-6H,4H2,1H3,(H,14,15)(H,16,17)/t6-/m1/s1
InChIKeyWMFFVAZKIWXNQV-ZCFIWIBFSA-N
MW243.21 g/mol
LogP1.10
Rot. Bonds4

About (2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid

(2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid (PubChem CID 58627720) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is (2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid
PubChem CID58627720
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name(2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C11H11F2NO3/c1-6(11(16)17)14-10(15)4-7-2-8(12)5-9(13)3-7/h2-3,5-6H,4H2,1H3,(H,14,15)(H,16,17)/t6-/m1/s1
InChIKeyWMFFVAZKIWXNQV-ZCFIWIBFSA-N
XLogP1.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]propanamide
CID 85063983
tert-butyl (2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoate
CID 163198765
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methoxypropanoic acid
CID 90981057
methyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate
CID 22491961
2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]-4-phenylbutanoic acid
CID 174418138
2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]propanoic acid
CID 119225524
(2S)-2-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 96664419
2-(N-[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]anilino)acetic acid
CID 22894878
methyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate
CID 10452973
2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid
CID 110490402
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
benzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate
CID 22492201

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid (CID 58627720) is (2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid is C[C@@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid?
The InChIKey is WMFFVAZKIWXNQV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11F2NO3/c1-6(11(16)17)14-10(15)4-7-2-8(12)5-9(13)3-7/h2-3,5-6H,4H2,1H3,(H,14,15)(H,16,17)/t6-/m1/s1.
What are the key properties of (2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid?
(2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid has a molecular weight of 243.21 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 58627720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).