cis-(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C16H13FN2O4 — CID 58995073

IUPACcis-(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc(-n2ccccc2=O)cc1F)[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C16H13FN2O4/c17-12-7-9(19-6-2-1-3-14(19)20)4-5-13(12)18-15(21)10-8-11(10)16(22)23/h1-7,10-11H,8H2,(H,18,21)(H,22,23)/t10-,11+/m0/s1
InChIKeyWCNZWVSKOGNZLV-WDEREUQCSA-N
MW316.29 g/mol
LogP1.64
Rot. Bonds4

About cis-(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 58995073) has the molecular formula C16H13FN2O4 and a molecular weight of 316.29 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID58995073
Molecular FormulaC16H13FN2O4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Namecis-(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1ccc(-n2ccccc2=O)cc1F)[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C16H13FN2O4/c17-12-7-9(19-6-2-1-3-14(19)20)4-5-13(12)18-15(21)10-8-11(10)16(22)23/h1-7,10-11H,8H2,(H,18,21)(H,22,23)/t10-,11+/m0/s1
InChIKeyWCNZWVSKOGNZLV-WDEREUQCSA-N
XLogP1.64
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 58995073) is cis-(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is O=C(Nc1ccc(-n2ccccc2=O)cc1F)[C@H]1C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is WCNZWVSKOGNZLV-WDEREUQCSA-N. The full InChI is InChI=1S/C16H13FN2O4/c17-12-7-9(19-6-2-1-3-14(19)20)4-5-13(12)18-15(21)10-8-11(10)16(22)23/h1-7,10-11H,8H2,(H,18,21)(H,22,23)/t10-,11+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 316.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 58995073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).