(4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylic acid

C16H17FN2O4 — CID 154983209

IUPAC(4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylic acid
SMILESCC1(F)C(=O)N(C(=O)O)[C@H](c2ccccc2)[C@H]1NC(=O)C1CC1
InChIInChI=1S/C16H17FN2O4/c1-16(17)12(18-13(20)10-7-8-10)11(9-5-3-2-4-6-9)19(14(16)21)15(22)23/h2-6,10-12H,7-8H2,1H3,(H,18,20)(H,22,23)/t11-,12-,16?/m1/s1
InChIKeyDCUMELCMRUJIAU-RJKRMVDRSA-N
MW320.32 g/mol
LogP1.87
Rot. Bonds3

About (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylic acid

(4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylic acid (PubChem CID 154983209) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylic acid
PubChem CID154983209
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name(4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylic acid
SMILESCC1(F)C(=O)N(C(=O)O)[C@H](c2ccccc2)[C@H]1NC(=O)C1CC1
InChIInChI=1S/C16H17FN2O4/c1-16(17)12(18-13(20)10-7-8-10)11(9-5-3-2-4-6-9)19(14(16)21)15(22)23/h2-6,10-12H,7-8H2,1H3,(H,18,20)(H,22,23)/t11-,12-,16?/m1/s1
InChIKeyDCUMELCMRUJIAU-RJKRMVDRSA-N
XLogP1.87
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylic acid?
The IUPAC name of (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylic acid (CID 154983209) is (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylic acid is CC1(F)C(=O)N(C(=O)O)[C@H](c2ccccc2)[C@H]1NC(=O)C1CC1.
What is the InChIKey of (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylic acid?
The InChIKey is DCUMELCMRUJIAU-RJKRMVDRSA-N. The full InChI is InChI=1S/C16H17FN2O4/c1-16(17)12(18-13(20)10-7-8-10)11(9-5-3-2-4-6-9)19(14(16)21)15(22)23/h2-6,10-12H,7-8H2,1H3,(H,18,20)(H,22,23)/t11-,12-,16?/m1/s1.
What are the key properties of (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylic acid?
(4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylic acid has a molecular weight of 320.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-(cyclopropanecarbonylamino)-3-fluoro-3-methyl-2-oxo-5-phenylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 154983209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).