2,2-difluoro-3-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]propanoic acid

C7H11F2NO4 — CID 165466451

IUPAC2,2-difluoro-3-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]propanoic acid
SMILESO=C(O)C(F)(F)CN[C@@H]1COC[C@H]1O
InChIInChI=1S/C7H11F2NO4/c8-7(9,6(12)13)3-10-4-1-14-2-5(4)11/h4-5,10-11H,1-3H2,(H,12,13)/t4-,5-/m1/s1
InChIKeyAXEYBXDHUSBCFF-RFZPGFLSSA-N
MW211.16 g/mol
LogP-0.94
Rot. Bonds4

About 2,2-difluoro-3-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]propanoic acid

2,2-difluoro-3-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]propanoic acid (PubChem CID 165466451) has the molecular formula C7H11F2NO4 and a molecular weight of 211.16 g/mol. Its IUPAC name is 2,2-difluoro-3-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]propanoic acid.

Molecular Properties

Compound Name2,2-difluoro-3-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]propanoic acid
PubChem CID165466451
Molecular FormulaC7H11F2NO4
Molecular Weight211.16 g/mol
Exact Mass211.07
IUPAC Name2,2-difluoro-3-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]propanoic acid
SMILESO=C(O)C(F)(F)CN[C@@H]1COC[C@H]1O
InChIInChI=1S/C7H11F2NO4/c8-7(9,6(12)13)3-10-4-1-14-2-5(4)11/h4-5,10-11H,1-3H2,(H,12,13)/t4-,5-/m1/s1
InChIKeyAXEYBXDHUSBCFF-RFZPGFLSSA-N
XLogP-0.94
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-hydroxyoxolan-3-yl)amino]-2,2-dimethylpropanamide
CID 106276490
4-[(2-methyl-2-methylsulfonylpropyl)amino]oxolan-3-ol
CID 79552094
2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide
CID 130674365
4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]oxolan-3-ol
CID 106247131
2,2-difluoro-3-[(3-methyloxolan-3-yl)amino]propanoic acid
CID 165466861
3-[(4-hydroxyoxolan-3-yl)amino]propane-1,2-diol
CID 66178034
2-hydroxy-N-(4-hydroxyoxolan-3-yl)acetamide
CID 130676245
3-(cyclopropylmethoxyamino)-2,2-difluoropropanoic acid
CID 165464288
N-(4-hydroxyoxolan-3-yl)propanamide
CID 130659329
N-[(3R,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 124600665
N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 55300518
4-[(2-methyl-2-thiophen-2-ylpropyl)amino]oxolan-3-ol
CID 80526373

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]propanoic acid?
The IUPAC name of 2,2-difluoro-3-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]propanoic acid (CID 165466451) is 2,2-difluoro-3-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]propanoic acid.
What is the SMILES notation for 2,2-difluoro-3-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]propanoic acid?
The canonical SMILES for 2,2-difluoro-3-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]propanoic acid is O=C(O)C(F)(F)CN[C@@H]1COC[C@H]1O.
What is the InChIKey of 2,2-difluoro-3-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]propanoic acid?
The InChIKey is AXEYBXDHUSBCFF-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H11F2NO4/c8-7(9,6(12)13)3-10-4-1-14-2-5(4)11/h4-5,10-11H,1-3H2,(H,12,13)/t4-,5-/m1/s1.
What are the key properties of 2,2-difluoro-3-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]propanoic acid?
2,2-difluoro-3-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]propanoic acid has a molecular weight of 211.16 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[[(3R,4S)-4-hydroxyoxolan-3-yl]amino]propanoic acid is sourced from PubChem (CID 165466451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).