(2R)-2-cyclohexyl-1-[2-[(2-cyclohexyloxy-2-oxoethyl)amino]acetyl]pyrrolidine-2-carboxylic acid

C21H34N2O5 — CID 54136802

IUPAC(2R)-2-cyclohexyl-1-[2-[(2-cyclohexyloxy-2-oxoethyl)amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CNCC(=O)N1CCC[C@]1(C(=O)O)C1CCCCC1)OC1CCCCC1
InChIInChI=1S/C21H34N2O5/c24-18(14-22-15-19(25)28-17-10-5-2-6-11-17)23-13-7-12-21(23,20(26)27)16-8-3-1-4-9-16/h16-17,22H,1-15H2,(H,26,27)/t21-/m1/s1
InChIKeyNYHDAKNCYQCQOU-OAQYLSRUSA-N
MW394.51 g/mol
LogP2.48
Rot. Bonds7

About (2R)-2-cyclohexyl-1-[2-[(2-cyclohexyloxy-2-oxoethyl)amino]acetyl]pyrrolidine-2-carboxylic acid

(2R)-2-cyclohexyl-1-[2-[(2-cyclohexyloxy-2-oxoethyl)amino]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 54136802) has the molecular formula C21H34N2O5 and a molecular weight of 394.51 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-1-[2-[(2-cyclohexyloxy-2-oxoethyl)amino]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-1-[2-[(2-cyclohexyloxy-2-oxoethyl)amino]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID54136802
Molecular FormulaC21H34N2O5
Molecular Weight394.51 g/mol
Exact Mass394.25
IUPAC Name(2R)-2-cyclohexyl-1-[2-[(2-cyclohexyloxy-2-oxoethyl)amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CNCC(=O)N1CCC[C@]1(C(=O)O)C1CCCCC1)OC1CCCCC1
InChIInChI=1S/C21H34N2O5/c24-18(14-22-15-19(25)28-17-10-5-2-6-11-17)23-13-7-12-21(23,20(26)27)16-8-3-1-4-9-16/h16-17,22H,1-15H2,(H,26,27)/t21-/m1/s1
InChIKeyNYHDAKNCYQCQOU-OAQYLSRUSA-N
XLogP2.48
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-1-[2-[(2-cyclohexyloxy-2-oxoethyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-cyclohexyl-1-[2-[(2-cyclohexyloxy-2-oxoethyl)amino]acetyl]pyrrolidine-2-carboxylic acid (CID 54136802) is (2R)-2-cyclohexyl-1-[2-[(2-cyclohexyloxy-2-oxoethyl)amino]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-cyclohexyl-1-[2-[(2-cyclohexyloxy-2-oxoethyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-cyclohexyl-1-[2-[(2-cyclohexyloxy-2-oxoethyl)amino]acetyl]pyrrolidine-2-carboxylic acid is O=C(CNCC(=O)N1CCC[C@]1(C(=O)O)C1CCCCC1)OC1CCCCC1.
What is the InChIKey of (2R)-2-cyclohexyl-1-[2-[(2-cyclohexyloxy-2-oxoethyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is NYHDAKNCYQCQOU-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H34N2O5/c24-18(14-22-15-19(25)28-17-10-5-2-6-11-17)23-13-7-12-21(23,20(26)27)16-8-3-1-4-9-16/h16-17,22H,1-15H2,(H,26,27)/t21-/m1/s1.
What are the key properties of (2R)-2-cyclohexyl-1-[2-[(2-cyclohexyloxy-2-oxoethyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
(2R)-2-cyclohexyl-1-[2-[(2-cyclohexyloxy-2-oxoethyl)amino]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 394.51 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-1-[2-[(2-cyclohexyloxy-2-oxoethyl)amino]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54136802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).