(2S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]oxolane-2-carboxylic acid

C24H24F2N2O6 — CID 178193952

IUPAC(2S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]oxolane-2-carboxylic acid
SMILESO=C(CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(F)F)N[C@@H]1CCO[C@@H]1C(=O)O
InChIInChI=1S/C24H24F2N2O6/c25-22(26)19(11-20(29)27-18-9-10-33-21(18)23(30)31)28-24(32)34-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-19,21-22H,9-12H2,(H,27,29)(H,28,32)(H,30,31)/t18-,19?,21+/m1/s1
InChIKeyOYTIHPZAHAIQNM-DRPMKMPGSA-N
MW474.46 g/mol
LogP2.91
Rot. Bonds8

About (2S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]oxolane-2-carboxylic acid

(2S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]oxolane-2-carboxylic acid (PubChem CID 178193952) has the molecular formula C24H24F2N2O6 and a molecular weight of 474.46 g/mol. Its IUPAC name is (2S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]oxolane-2-carboxylic acid
PubChem CID178193952
Molecular FormulaC24H24F2N2O6
Molecular Weight474.46 g/mol
Exact Mass474.16
IUPAC Name(2S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]oxolane-2-carboxylic acid
SMILESO=C(CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(F)F)N[C@@H]1CCO[C@@H]1C(=O)O
InChIInChI=1S/C24H24F2N2O6/c25-22(26)19(11-20(29)27-18-9-10-33-21(18)23(30)31)28-24(32)34-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-19,21-22H,9-12H2,(H,27,29)(H,28,32)(H,30,31)/t18-,19?,21+/m1/s1
InChIKeyOYTIHPZAHAIQNM-DRPMKMPGSA-N
XLogP2.91
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]oxolane-2-carboxylic acid with MolForge

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Related Compounds

3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]-4,4-difluorobutanoic acid
CID 165480222
(2R,3S)-3-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]oxolane-2-carboxylic acid
CID 178191827
(2R,3S)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]oxolane-2-carboxylic acid
CID 178198790
(2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]oxolane-2-carboxylic acid
CID 178191249
(2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid
CID 178193969
cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 178193645
(2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylmethoxybutanoyl]amino]oxolane-2-carboxylic acid
CID 178195532
3-cyclopropyl-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid
CID 178195467
(2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]amino]oxolane-2-carboxylic acid
CID 178195472
(3R)-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]pentanoic acid
CID 178196476
3-cyclopropyl-2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid
CID 178195807
(2R,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]methyl]oxolane-2-carboxylic acid
CID 178191344

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]oxolane-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]oxolane-2-carboxylic acid (CID 178193952) is (2S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]oxolane-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]oxolane-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]oxolane-2-carboxylic acid is O=C(CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(F)F)N[C@@H]1CCO[C@@H]1C(=O)O.
What is the InChIKey of (2S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]oxolane-2-carboxylic acid?
The InChIKey is OYTIHPZAHAIQNM-DRPMKMPGSA-N. The full InChI is InChI=1S/C24H24F2N2O6/c25-22(26)19(11-20(29)27-18-9-10-33-21(18)23(30)31)28-24(32)34-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-19,21-22H,9-12H2,(H,27,29)(H,28,32)(H,30,31)/t18-,19?,21+/m1/s1.
What are the key properties of (2S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]oxolane-2-carboxylic acid?
(2S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]oxolane-2-carboxylic acid has a molecular weight of 474.46 g/mol, XLogP of 2.91, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]amino]oxolane-2-carboxylic acid is sourced from PubChem (CID 178193952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).