(2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid

C8H8F2N2O2 — CID 131055961

IUPAC(2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid
SMILESN[C@H](Cc1ncc(F)cc1F)C(=O)O
InChIInChI=1S/C8H8F2N2O2/c9-4-1-5(10)7(12-3-4)2-6(11)8(13)14/h1,3,6H,2,11H2,(H,13,14)/t6-/m1/s1
InChIKeyNNMPMHHFKRUGGQ-ZCFIWIBFSA-N
MW202.16 g/mol
LogP0.31
Rot. Bonds3

About (2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid

(2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid (PubChem CID 131055961) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is (2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid
PubChem CID131055961
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name(2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid
SMILESN[C@H](Cc1ncc(F)cc1F)C(=O)O
InChIInChI=1S/C8H8F2N2O2/c9-4-1-5(10)7(12-3-4)2-6(11)8(13)14/h1,3,6H,2,11H2,(H,13,14)/t6-/m1/s1
InChIKeyNNMPMHHFKRUGGQ-ZCFIWIBFSA-N
XLogP0.31
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid
CID 10846511
2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid
CID 84670465
2-amino-3-[3-(1-fluoroethyl)-5-hydroxy-2-pyridinyl]propanoic acid
CID 69488680
2-amino-3-(8-bromo-3-fluoroquinolin-5-yl)propanoic acid
CID 146566840
N-[2-(3,5-difluoro-2-pyridinyl)ethyl]acetamide
CID 69198720
(2R)-2-amino-3-(5-chloro-2-fluoro-3-pyridinyl)propanoic acid
CID 130749995
(2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid
CID 130612428
(2S)-2-amino-3-(6-fluoro-3-pyridinyl)propanoic acid
CID 10330017
(2S)-2-amino-N-(3,5-difluoro-2-pyridinyl)-3-hydroxypropanamide
CID 156842608
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid
CID 55267324
2-amino-3-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propanoic acid
CID 178095746

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid (CID 131055961) is (2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid is N[C@H](Cc1ncc(F)cc1F)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid?
The InChIKey is NNMPMHHFKRUGGQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c9-4-1-5(10)7(12-3-4)2-6(11)8(13)14/h1,3,6H,2,11H2,(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid?
(2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid has a molecular weight of 202.16 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid is sourced from PubChem (CID 131055961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).