(2S)-1-(2,2-dimethylpropanoyl)-N-[(1R,2R)-1-(methylcarbamoyl)-2-phenylcyclopropyl]pyrrolidine-2-carboxamide

C21H29N3O3 — CID 15342737

IUPAC(2S)-1-(2,2-dimethylpropanoyl)-N-[(1R,2R)-1-(methylcarbamoyl)-2-phenylcyclopropyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@]1(NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C[C@@H]1c1ccccc1
InChIInChI=1S/C21H29N3O3/c1-20(2,3)19(27)24-12-8-11-16(24)17(25)23-21(18(26)22-4)13-15(21)14-9-6-5-7-10-14/h5-7,9-10,15-16H,8,11-13H2,1-4H3,(H,22,26)(H,23,25)/t15-,16+,21-/m1/s1
InChIKeyGLONRRFQAILHQT-VWKPWSFCSA-N
MW371.48 g/mol
LogP1.81
Rot. Bonds4

About (2S)-1-(2,2-dimethylpropanoyl)-N-[(1R,2R)-1-(methylcarbamoyl)-2-phenylcyclopropyl]pyrrolidine-2-carboxamide

(2S)-1-(2,2-dimethylpropanoyl)-N-[(1R,2R)-1-(methylcarbamoyl)-2-phenylcyclopropyl]pyrrolidine-2-carboxamide (PubChem CID 15342737) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2S)-1-(2,2-dimethylpropanoyl)-N-[(1R,2R)-1-(methylcarbamoyl)-2-phenylcyclopropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2,2-dimethylpropanoyl)-N-[(1R,2R)-1-(methylcarbamoyl)-2-phenylcyclopropyl]pyrrolidine-2-carboxamide
PubChem CID15342737
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(2S)-1-(2,2-dimethylpropanoyl)-N-[(1R,2R)-1-(methylcarbamoyl)-2-phenylcyclopropyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@]1(NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C[C@@H]1c1ccccc1
InChIInChI=1S/C21H29N3O3/c1-20(2,3)19(27)24-12-8-11-16(24)17(25)23-21(18(26)22-4)13-15(21)14-9-6-5-7-10-14/h5-7,9-10,15-16H,8,11-13H2,1-4H3,(H,22,26)(H,23,25)/t15-,16+,21-/m1/s1
InChIKeyGLONRRFQAILHQT-VWKPWSFCSA-N
XLogP1.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(2,2-dimethylpropanoyl)-N-[(1R,2R)-1-(methylcarbamoyl)-2-phenylcyclopropyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
CID 71328887
methyl (2S)-1-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropanecarbonyl]pyrrolidine-2-carboxylate
CID 163414036
(2S)-1-[(2R)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
CID 102394151
[[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]amino]methoxy-phenylborinic acid
CID 143218805
1-(2,2-dimethylpropanoyl)-N-[(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
CID 51085674
2-[[(1R,2R)-2-(4-bromophenyl)-1-carbamoylcyclopropyl]carbamoyl]piperidine-1-carboxylic acid
CID 67269077
1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide
CID 47184320
1-(2,2-dimethylpropanoyl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
CID 71328856
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
N-(3,3-dimethylcyclopentyl)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 115881812
1-(2,2-dimethylpropanoyl)-N-(2-hydroxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 47050528
N-[1-(4-bromophenyl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 55606366

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,2-dimethylpropanoyl)-N-[(1R,2R)-1-(methylcarbamoyl)-2-phenylcyclopropyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2,2-dimethylpropanoyl)-N-[(1R,2R)-1-(methylcarbamoyl)-2-phenylcyclopropyl]pyrrolidine-2-carboxamide (CID 15342737) is (2S)-1-(2,2-dimethylpropanoyl)-N-[(1R,2R)-1-(methylcarbamoyl)-2-phenylcyclopropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2,2-dimethylpropanoyl)-N-[(1R,2R)-1-(methylcarbamoyl)-2-phenylcyclopropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2,2-dimethylpropanoyl)-N-[(1R,2R)-1-(methylcarbamoyl)-2-phenylcyclopropyl]pyrrolidine-2-carboxamide is CNC(=O)[C@@]1(NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C[C@@H]1c1ccccc1.
What is the InChIKey of (2S)-1-(2,2-dimethylpropanoyl)-N-[(1R,2R)-1-(methylcarbamoyl)-2-phenylcyclopropyl]pyrrolidine-2-carboxamide?
The InChIKey is GLONRRFQAILHQT-VWKPWSFCSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-20(2,3)19(27)24-12-8-11-16(24)17(25)23-21(18(26)22-4)13-15(21)14-9-6-5-7-10-14/h5-7,9-10,15-16H,8,11-13H2,1-4H3,(H,22,26)(H,23,25)/t15-,16+,21-/m1/s1.
What are the key properties of (2S)-1-(2,2-dimethylpropanoyl)-N-[(1R,2R)-1-(methylcarbamoyl)-2-phenylcyclopropyl]pyrrolidine-2-carboxamide?
(2S)-1-(2,2-dimethylpropanoyl)-N-[(1R,2R)-1-(methylcarbamoyl)-2-phenylcyclopropyl]pyrrolidine-2-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,2-dimethylpropanoyl)-N-[(1R,2R)-1-(methylcarbamoyl)-2-phenylcyclopropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 15342737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).