2,2-difluoro-3-(oxolan-2-ylmethylamino)propanoic acid

C8H13F2NO3 — CID 165466862

IUPAC2,2-difluoro-3-(oxolan-2-ylmethylamino)propanoic acid
SMILESO=C(O)C(F)(F)CNCC1CCCO1
InChIInChI=1S/C8H13F2NO3/c9-8(10,7(12)13)5-11-4-6-2-1-3-14-6/h6,11H,1-5H2,(H,12,13)
InChIKeyQVRDFJKYTVESII-UHFFFAOYSA-N
MW209.19 g/mol
LogP0.47
Rot. Bonds5

About 2,2-difluoro-3-(oxolan-2-ylmethylamino)propanoic acid

2,2-difluoro-3-(oxolan-2-ylmethylamino)propanoic acid (PubChem CID 165466862) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 2,2-difluoro-3-(oxolan-2-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-(oxolan-2-ylmethylamino)propanoic acid
PubChem CID165466862
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name2,2-difluoro-3-(oxolan-2-ylmethylamino)propanoic acid
SMILESO=C(O)C(F)(F)CNCC1CCCO1
InChIInChI=1S/C8H13F2NO3/c9-8(10,7(12)13)5-11-4-6-2-1-3-14-6/h6,11H,1-5H2,(H,12,13)
InChIKeyQVRDFJKYTVESII-UHFFFAOYSA-N
XLogP0.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-{[(oxolan-2-yl)methyl]amino}propanoate
CID 43242689
[(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 57436105
[(3R,5S)-5-(hydroxymethyl)pyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 66735652
3,3,3-Trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)propanoic acid
CID 79791816
3,3,3-Trifluoro-2-methyl-2-[(5-methyloxolan-2-yl)methylamino]propanoic acid
CID 103135999
3,3,3-Trifluoro-2-[(oxolan-2-ylmethylamino)methyl]propanoic acid
CID 103234750
3,3,3-Trifluoro-2-[[1-(oxolan-2-yl)ethylamino]methyl]propanoic acid
CID 103238611
3,3,3-Trifluoro-2-[[(2-methoxycyclopentyl)amino]methyl]propanoic acid
CID 103248545
3,3,3-Trifluoro-2-[[(2-methyloxolan-2-yl)methylamino]methyl]propanoic acid
CID 103259718
3,3,3-Trifluoro-2-[[(2-methyloxolan-3-yl)amino]methyl]propanoic acid
CID 103261801
5-[[(3,3-Difluoro-2-hydroxypropyl)amino]methyl]-3,3-difluorooxolan-2-one
CID 105645364
3,3-Difluoro-5-[(4-hydroxypentylamino)methyl]oxolan-2-one
CID 106131015

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(oxolan-2-ylmethylamino)propanoic acid?
The IUPAC name of 2,2-difluoro-3-(oxolan-2-ylmethylamino)propanoic acid (CID 165466862) is 2,2-difluoro-3-(oxolan-2-ylmethylamino)propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-(oxolan-2-ylmethylamino)propanoic acid?
The canonical SMILES for 2,2-difluoro-3-(oxolan-2-ylmethylamino)propanoic acid is O=C(O)C(F)(F)CNCC1CCCO1.
What is the InChIKey of 2,2-difluoro-3-(oxolan-2-ylmethylamino)propanoic acid?
The InChIKey is QVRDFJKYTVESII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c9-8(10,7(12)13)5-11-4-6-2-1-3-14-6/h6,11H,1-5H2,(H,12,13).
What are the key properties of 2,2-difluoro-3-(oxolan-2-ylmethylamino)propanoic acid?
2,2-difluoro-3-(oxolan-2-ylmethylamino)propanoic acid has a molecular weight of 209.19 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(oxolan-2-ylmethylamino)propanoic acid is sourced from PubChem (CID 165466862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).