(2R)-2-cyclohexyl-1-[(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

C20H34N2O5 — CID 54027217

IUPAC(2R)-2-cyclohexyl-1-[(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](NCC(=O)OC(C)(C)C)C(=O)N1CCC[C@]1(C(=O)O)C1CCCCC1
InChIInChI=1S/C20H34N2O5/c1-14(21-13-16(23)27-19(2,3)4)17(24)22-12-8-11-20(22,18(25)26)15-9-6-5-7-10-15/h14-15,21H,5-13H2,1-4H3,(H,25,26)/t14-,20+/m0/s1
InChIKeyLDASIWDAZGENKV-VBKZILBWSA-N
MW382.50 g/mol
LogP2.33
Rot. Bonds6

About (2R)-2-cyclohexyl-1-[(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

(2R)-2-cyclohexyl-1-[(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 54027217) has the molecular formula C20H34N2O5 and a molecular weight of 382.50 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-1-[(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-1-[(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID54027217
Molecular FormulaC20H34N2O5
Molecular Weight382.50 g/mol
Exact Mass382.25
IUPAC Name(2R)-2-cyclohexyl-1-[(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
SMILESC[C@H](NCC(=O)OC(C)(C)C)C(=O)N1CCC[C@]1(C(=O)O)C1CCCCC1
InChIInChI=1S/C20H34N2O5/c1-14(21-13-16(23)27-19(2,3)4)17(24)22-12-8-11-20(22,18(25)26)15-9-6-5-7-10-15/h14-15,21H,5-13H2,1-4H3,(H,25,26)/t14-,20+/m0/s1
InChIKeyLDASIWDAZGENKV-VBKZILBWSA-N
XLogP2.33
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-cyclohexyl-1-[(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylic acid
CID 18337685
2-methyl-1-[3-methyl-2-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoylamino]butanoyl]pyrrolidine-2-carboxylic acid
CID 68761906
tert-butyl 2-[[(1R)-1-cyclohexylethyl]amino]acetate
CID 81386235
tert-butyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81384159
methyl (2R)-1-[(2S)-2-aminopropanoyl]-2-cyclohexylpyrrolidine-2-carboxylate
CID 54546442
(2R)-1-[2-[bis(carboxymethyl)amino]acetyl]-2-cyclohexylpyrrolidine-2-carboxylic acid
CID 54140544
tert-butyl 4-cyclohexyl-4-[(1-hydroxypropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 20743550
methyl (3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54023912
tert-butyl 3-(1-cyclohexylethylamino)propanoate
CID 103729841
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 61498958
(2R)-1-[(2S)-2-(carboxymethylideneamino)propanoyl]-2-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 67729874
tert-butyl (3R)-3-(cyclohexylamino)butanoate
CID 157049067

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-1-[(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-cyclohexyl-1-[(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid (CID 54027217) is (2R)-2-cyclohexyl-1-[(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-cyclohexyl-1-[(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-cyclohexyl-1-[(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid is C[C@H](NCC(=O)OC(C)(C)C)C(=O)N1CCC[C@]1(C(=O)O)C1CCCCC1.
What is the InChIKey of (2R)-2-cyclohexyl-1-[(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LDASIWDAZGENKV-VBKZILBWSA-N. The full InChI is InChI=1S/C20H34N2O5/c1-14(21-13-16(23)27-19(2,3)4)17(24)22-12-8-11-20(22,18(25)26)15-9-6-5-7-10-15/h14-15,21H,5-13H2,1-4H3,(H,25,26)/t14-,20+/m0/s1.
What are the key properties of (2R)-2-cyclohexyl-1-[(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid?
(2R)-2-cyclohexyl-1-[(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 382.50 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-1-[(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54027217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).