2-[(2,2-difluoro-3-hydroxypropyl)amino]acetic acid

C5H9F2NO3 — CID 106176511

IUPAC2-[(2,2-difluoro-3-hydroxypropyl)amino]acetic acid
SMILESO=C(O)CNCC(F)(F)CO
InChIInChI=1S/C5H9F2NO3/c6-5(7,3-9)2-8-1-4(10)11/h8-9H,1-3H2,(H,10,11)
InChIKeyDUOSRBXNMXCZME-UHFFFAOYSA-N
MW169.13 g/mol
LogP-0.71
Rot. Bonds5

About 2-[(2,2-difluoro-3-hydroxypropyl)amino]acetic acid

2-[(2,2-difluoro-3-hydroxypropyl)amino]acetic acid (PubChem CID 106176511) has the molecular formula C5H9F2NO3 and a molecular weight of 169.13 g/mol. Its IUPAC name is 2-[(2,2-difluoro-3-hydroxypropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,2-difluoro-3-hydroxypropyl)amino]acetic acid
PubChem CID106176511
Molecular FormulaC5H9F2NO3
Molecular Weight169.13 g/mol
Exact Mass169.06
IUPAC Name2-[(2,2-difluoro-3-hydroxypropyl)amino]acetic acid
SMILESO=C(O)CNCC(F)(F)CO
InChIInChI=1S/C5H9F2NO3/c6-5(7,3-9)2-8-1-4(10)11/h8-9H,1-3H2,(H,10,11)
InChIKeyDUOSRBXNMXCZME-UHFFFAOYSA-N
XLogP-0.71
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoro-3-hydroxypropyl)amino]acetic acid?
The IUPAC name of 2-[(2,2-difluoro-3-hydroxypropyl)amino]acetic acid (CID 106176511) is 2-[(2,2-difluoro-3-hydroxypropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,2-difluoro-3-hydroxypropyl)amino]acetic acid?
The canonical SMILES for 2-[(2,2-difluoro-3-hydroxypropyl)amino]acetic acid is O=C(O)CNCC(F)(F)CO.
What is the InChIKey of 2-[(2,2-difluoro-3-hydroxypropyl)amino]acetic acid?
The InChIKey is DUOSRBXNMXCZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO3/c6-5(7,3-9)2-8-1-4(10)11/h8-9H,1-3H2,(H,10,11).
What are the key properties of 2-[(2,2-difluoro-3-hydroxypropyl)amino]acetic acid?
2-[(2,2-difluoro-3-hydroxypropyl)amino]acetic acid has a molecular weight of 169.13 g/mol, XLogP of -0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoro-3-hydroxypropyl)amino]acetic acid is sourced from PubChem (CID 106176511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).