trans-(1R,2R)-2-[(2S)-2-(fluoromethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid

C10H14FNO3 — CID 166299518

IUPACtrans-(1R,2R)-2-[(2S)-2-(fluoromethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CF
InChIInChI=1S/C10H14FNO3/c11-5-6-2-1-3-12(6)9(13)7-4-8(7)10(14)15/h6-8H,1-5H2,(H,14,15)/t6-,7+,8+/m0/s1
InChIKeyHUDAIOSKYYTUFZ-XLPZGREQSA-N
MW215.22 g/mol
LogP0.67
Rot. Bonds3

About trans-(1R,2R)-2-[(2S)-2-(fluoromethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[(2S)-2-(fluoromethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 166299518) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(2S)-2-(fluoromethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(2S)-2-(fluoromethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID166299518
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Nametrans-(1R,2R)-2-[(2S)-2-(fluoromethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CF
InChIInChI=1S/C10H14FNO3/c11-5-6-2-1-3-12(6)9(13)7-4-8(7)10(14)15/h6-8H,1-5H2,(H,14,15)/t6-,7+,8+/m0/s1
InChIKeyHUDAIOSKYYTUFZ-XLPZGREQSA-N
XLogP0.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(2S)-2-(fluoromethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[(2S)-2-(fluoromethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 166299518) is trans-(1R,2R)-2-[(2S)-2-(fluoromethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[(2S)-2-(fluoromethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[(2S)-2-(fluoromethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1CF.
What is the InChIKey of trans-(1R,2R)-2-[(2S)-2-(fluoromethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is HUDAIOSKYYTUFZ-XLPZGREQSA-N. The full InChI is InChI=1S/C10H14FNO3/c11-5-6-2-1-3-12(6)9(13)7-4-8(7)10(14)15/h6-8H,1-5H2,(H,14,15)/t6-,7+,8+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[(2S)-2-(fluoromethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[(2S)-2-(fluoromethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 215.22 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(2S)-2-(fluoromethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 166299518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).