(2S)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidine-2-carboxamide

C13H24N2O — CID 79362349

IUPAC(2S)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidine-2-carboxamide
SMILESCC1(C)C(CNC(=O)[C@@H]2CCCN2)C1(C)C
InChIInChI=1S/C13H24N2O/c1-12(2)10(13(12,3)4)8-15-11(16)9-6-5-7-14-9/h9-10,14H,5-8H2,1-4H3,(H,15,16)/t9-/m0/s1
InChIKeyALZYNESMTBYPNB-VIFPVBQESA-N
MW224.35 g/mol
LogP1.54
Rot. Bonds3

About (2S)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidine-2-carboxamide

(2S)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 79362349) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (2S)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidine-2-carboxamide
PubChem CID79362349
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(2S)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidine-2-carboxamide
SMILESCC1(C)C(CNC(=O)[C@@H]2CCCN2)C1(C)C
InChIInChI=1S/C13H24N2O/c1-12(2)10(13(12,3)4)8-15-11(16)9-6-5-7-14-9/h9-10,14H,5-8H2,1-4H3,(H,15,16)/t9-/m0/s1
InChIKeyALZYNESMTBYPNB-VIFPVBQESA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2-methylcyclopropyl)methyl]pyrrolidine-2-carboxamide
CID 103795243
(2S)-N-[(2,2-dimethylcyclopropyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119785410
N-[(2,2-dimethylcyclopropyl)methyl]azepane-2-carboxamide
CID 104954794
(2S)-N-[(1-methylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 63829240
(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119300473
N-propylpyrrolidine-2-carboxamide
CID 4984185
N-(fluoromethyl)pyrrolidine-2-carboxamide
CID 123273673
2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104901218
(2S)-N-[(3-methylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 107413261
(2R)-N-[(2,2-dimethylcyclopropyl)methyl]azetidine-2-carboxamide
CID 130710779

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidine-2-carboxamide (CID 79362349) is (2S)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidine-2-carboxamide is CC1(C)C(CNC(=O)[C@@H]2CCCN2)C1(C)C.
What is the InChIKey of (2S)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is ALZYNESMTBYPNB-VIFPVBQESA-N. The full InChI is InChI=1S/C13H24N2O/c1-12(2)10(13(12,3)4)8-15-11(16)9-6-5-7-14-9/h9-10,14H,5-8H2,1-4H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidine-2-carboxamide?
(2S)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 79362349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).