(2R)-2-[(4,6-difluoropyrimidin-2-yl)amino]propanoic acid

C7H7F2N3O2 — CID 6935115

IUPAC(2R)-2-[(4,6-difluoropyrimidin-2-yl)amino]propanoic acid
SMILESC[C@@H](Nc1nc(F)cc(F)n1)C(=O)O
InChIInChI=1S/C7H7F2N3O2/c1-3(6(13)14)10-7-11-4(8)2-5(9)12-7/h2-3H,1H3,(H,13,14)(H,10,11,12)/t3-/m1/s1
InChIKeyNUWFTGRSJRNEAG-GSVOUGTGSA-N
MW203.15 g/mol
LogP0.64
Rot. Bonds3

About (2R)-2-[(4,6-difluoropyrimidin-2-yl)amino]propanoic acid

(2R)-2-[(4,6-difluoropyrimidin-2-yl)amino]propanoic acid (PubChem CID 6935115) has the molecular formula C7H7F2N3O2 and a molecular weight of 203.15 g/mol. Its IUPAC name is (2R)-2-[(4,6-difluoropyrimidin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4,6-difluoropyrimidin-2-yl)amino]propanoic acid
PubChem CID6935115
Molecular FormulaC7H7F2N3O2
Molecular Weight203.15 g/mol
Exact Mass203.05
IUPAC Name(2R)-2-[(4,6-difluoropyrimidin-2-yl)amino]propanoic acid
SMILESC[C@@H](Nc1nc(F)cc(F)n1)C(=O)O
InChIInChI=1S/C7H7F2N3O2/c1-3(6(13)14)10-7-11-4(8)2-5(9)12-7/h2-3H,1H3,(H,13,14)(H,10,11,12)/t3-/m1/s1
InChIKeyNUWFTGRSJRNEAG-GSVOUGTGSA-N
XLogP0.64
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,6-difluoropyrimidin-2-yl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(4,6-difluoropyrimidin-2-yl)amino]propanoic acid (CID 6935115) is (2R)-2-[(4,6-difluoropyrimidin-2-yl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(4,6-difluoropyrimidin-2-yl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(4,6-difluoropyrimidin-2-yl)amino]propanoic acid is C[C@@H](Nc1nc(F)cc(F)n1)C(=O)O.
What is the InChIKey of (2R)-2-[(4,6-difluoropyrimidin-2-yl)amino]propanoic acid?
The InChIKey is NUWFTGRSJRNEAG-GSVOUGTGSA-N. The full InChI is InChI=1S/C7H7F2N3O2/c1-3(6(13)14)10-7-11-4(8)2-5(9)12-7/h2-3H,1H3,(H,13,14)(H,10,11,12)/t3-/m1/s1.
What are the key properties of (2R)-2-[(4,6-difluoropyrimidin-2-yl)amino]propanoic acid?
(2R)-2-[(4,6-difluoropyrimidin-2-yl)amino]propanoic acid has a molecular weight of 203.15 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,6-difluoropyrimidin-2-yl)amino]propanoic acid is sourced from PubChem (CID 6935115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).