(2S)-N-cyclopropyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide

C16H27N3O2 — CID 75411491

IUPAC(2S)-N-cyclopropyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1(N2CCC[C@H]2C(=O)NC2CC2)CCCCC1
InChIInChI=1S/C16H27N3O2/c1-17-15(21)16(9-3-2-4-10-16)19-11-5-6-13(19)14(20)18-12-7-8-12/h12-13H,2-11H2,1H3,(H,17,21)(H,18,20)/t13-/m0/s1
InChIKeyMHBKKFKAKAUFKK-ZDUSSCGKSA-N
MW293.41 g/mol
LogP1.18
Rot. Bonds4

About (2S)-N-cyclopropyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide

(2S)-N-cyclopropyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide (PubChem CID 75411491) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide
PubChem CID75411491
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(2S)-N-cyclopropyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1(N2CCC[C@H]2C(=O)NC2CC2)CCCCC1
InChIInChI=1S/C16H27N3O2/c1-17-15(21)16(9-3-2-4-10-16)19-11-5-6-13(19)14(20)18-12-7-8-12/h12-13H,2-11H2,1H3,(H,17,21)(H,18,20)/t13-/m0/s1
InChIKeyMHBKKFKAKAUFKK-ZDUSSCGKSA-N
XLogP1.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide (CID 75411491) is (2S)-N-cyclopropyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide is CNC(=O)C1(N2CCC[C@H]2C(=O)NC2CC2)CCCCC1.
What is the InChIKey of (2S)-N-cyclopropyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide?
The InChIKey is MHBKKFKAKAUFKK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-17-15(21)16(9-3-2-4-10-16)19-11-5-6-13(19)14(20)18-12-7-8-12/h12-13H,2-11H2,1H3,(H,17,21)(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide?
(2S)-N-cyclopropyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75411491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).