(3S,4S)-N-(2-ethylcyclopropyl)-4-methylpyrrolidine-3-carboxamide;hydrochloride

C11H21ClN2O — CID 130908536

IUPAC(3S,4S)-N-(2-ethylcyclopropyl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCC1CC1NC(=O)[C@@H]1CNC[C@H]1C.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-3-8-4-10(8)13-11(14)9-6-12-5-7(9)2;/h7-10,12H,3-6H2,1-2H3,(H,13,14);1H/t7-,8?,9-,10?;/m1./s1
InChIKeyPFWIZFUGOSGIFV-LRGRUYLGSA-N
MW232.75 g/mol
LogP1.18
Rot. Bonds3

About (3S,4S)-N-(2-ethylcyclopropyl)-4-methylpyrrolidine-3-carboxamide;hydrochloride

(3S,4S)-N-(2-ethylcyclopropyl)-4-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 130908536) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is (3S,4S)-N-(2-ethylcyclopropyl)-4-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3S,4S)-N-(2-ethylcyclopropyl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID130908536
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name(3S,4S)-N-(2-ethylcyclopropyl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCC1CC1NC(=O)[C@@H]1CNC[C@H]1C.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-3-8-4-10(8)13-11(14)9-6-12-5-7(9)2;/h7-10,12H,3-6H2,1-2H3,(H,13,14);1H/t7-,8?,9-,10?;/m1./s1
InChIKeyPFWIZFUGOSGIFV-LRGRUYLGSA-N
XLogP1.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-3-N-[(1S,2S)-2-ethylcyclopropyl]-4-N-[(1S,2S)-2-methylcyclopropyl]pyrrolidine-3,4-dicarboxamide
CID 166872199
(3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 131089746
N-(2-hydroxycyclohexyl)-4-methylpyrrolidine-3-carboxamide
CID 63715176
4-methyl-N-(4-propylcyclohexyl)pyrrolidine-3-carboxamide
CID 63714005
(3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 131110722
(3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide
CID 166890060
(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130719913
4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 63720958
(2S,4R)-N-(2-ethylcyclopropyl)-4-fluoropyrrolidine-2-carboxamide;hydrochloride
CID 130992352
N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide
CID 115976512
(2R,4S)-N-(2-ethylcyclopropyl)-4-hydroxypyrrolidine-2-carboxamide
CID 130774710
N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63843859

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(2-ethylcyclopropyl)-4-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3S,4S)-N-(2-ethylcyclopropyl)-4-methylpyrrolidine-3-carboxamide;hydrochloride (CID 130908536) is (3S,4S)-N-(2-ethylcyclopropyl)-4-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3S,4S)-N-(2-ethylcyclopropyl)-4-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3S,4S)-N-(2-ethylcyclopropyl)-4-methylpyrrolidine-3-carboxamide;hydrochloride is CCC1CC1NC(=O)[C@@H]1CNC[C@H]1C.Cl.
What is the InChIKey of (3S,4S)-N-(2-ethylcyclopropyl)-4-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is PFWIZFUGOSGIFV-LRGRUYLGSA-N. The full InChI is InChI=1S/C11H20N2O.ClH/c1-3-8-4-10(8)13-11(14)9-6-12-5-7(9)2;/h7-10,12H,3-6H2,1-2H3,(H,13,14);1H/t7-,8?,9-,10?;/m1./s1.
What are the key properties of (3S,4S)-N-(2-ethylcyclopropyl)-4-methylpyrrolidine-3-carboxamide;hydrochloride?
(3S,4S)-N-(2-ethylcyclopropyl)-4-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 232.75 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(2-ethylcyclopropyl)-4-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 130908536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).