(2S,4R)-N-(2-ethylcyclopropyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride

C10H18ClFN2O — CID 130992352

IUPAC(2S,4R)-N-(2-ethylcyclopropyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride
SMILESCCC1CC1NC(=O)[C@@H]1C[C@@H](F)CN1.Cl
InChIInChI=1S/C10H17FN2O.ClH/c1-2-6-3-8(6)13-10(14)9-4-7(11)5-12-9;/h6-9,12H,2-5H2,1H3,(H,13,14);1H/t6?,7-,8?,9+;/m1./s1
InChIKeyFXHSLJDKOZDCTI-OTRVCVIPSA-N
MW236.72 g/mol
LogP1.02
Rot. Bonds3

About (2S,4R)-N-(2-ethylcyclopropyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride

(2S,4R)-N-(2-ethylcyclopropyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride (PubChem CID 130992352) has the molecular formula C10H18ClFN2O and a molecular weight of 236.72 g/mol. Its IUPAC name is (2S,4R)-N-(2-ethylcyclopropyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-N-(2-ethylcyclopropyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride
PubChem CID130992352
Molecular FormulaC10H18ClFN2O
Molecular Weight236.72 g/mol
Exact Mass236.11
IUPAC Name(2S,4R)-N-(2-ethylcyclopropyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride
SMILESCCC1CC1NC(=O)[C@@H]1C[C@@H](F)CN1.Cl
InChIInChI=1S/C10H17FN2O.ClH/c1-2-6-3-8(6)13-10(14)9-4-7(11)5-12-9;/h6-9,12H,2-5H2,1H3,(H,13,14);1H/t6?,7-,8?,9+;/m1./s1
InChIKeyFXHSLJDKOZDCTI-OTRVCVIPSA-N
XLogP1.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-(2-ethylcyclopropyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S,4R)-N-(2-ethylcyclopropyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride (CID 130992352) is (2S,4R)-N-(2-ethylcyclopropyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4R)-N-(2-ethylcyclopropyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,4R)-N-(2-ethylcyclopropyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride is CCC1CC1NC(=O)[C@@H]1C[C@@H](F)CN1.Cl.
What is the InChIKey of (2S,4R)-N-(2-ethylcyclopropyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is FXHSLJDKOZDCTI-OTRVCVIPSA-N. The full InChI is InChI=1S/C10H17FN2O.ClH/c1-2-6-3-8(6)13-10(14)9-4-7(11)5-12-9;/h6-9,12H,2-5H2,1H3,(H,13,14);1H/t6?,7-,8?,9+;/m1./s1.
What are the key properties of (2S,4R)-N-(2-ethylcyclopropyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride?
(2S,4R)-N-(2-ethylcyclopropyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 236.72 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(2-ethylcyclopropyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 130992352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).