tert-butyl (2R)-2-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate

C22H37N3O5 — CID 57060946

IUPACtert-butyl (2R)-2-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCCC1C(O)C(=O)NC1CCCCC1
InChIInChI=1S/C22H37N3O5/c1-22(2,3)30-21(29)25-14-8-12-17(25)20(28)24-13-7-11-16(24)18(26)19(27)23-15-9-5-4-6-10-15/h15-18,26H,4-14H2,1-3H3,(H,23,27)/t16?,17-,18?/m1/s1
InChIKeyLGQQJVATRHGMRY-LXPRWKDFSA-N
MW423.55 g/mol
LogP2.19
Rot. Bonds4

About tert-butyl (2R)-2-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate (PubChem CID 57060946) has the molecular formula C22H37N3O5 and a molecular weight of 423.55 g/mol. Its IUPAC name is tert-butyl (2R)-2-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
PubChem CID57060946
Molecular FormulaC22H37N3O5
Molecular Weight423.55 g/mol
Exact Mass423.27
IUPAC Nametert-butyl (2R)-2-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCCC1C(O)C(=O)NC1CCCCC1
InChIInChI=1S/C22H37N3O5/c1-22(2,3)30-21(29)25-14-8-12-17(25)20(28)24-13-7-11-16(24)18(26)19(27)23-15-9-5-4-6-10-15/h15-18,26H,4-14H2,1-3H3,(H,23,27)/t16?,17-,18?/m1/s1
InChIKeyLGQQJVATRHGMRY-LXPRWKDFSA-N
XLogP2.19
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R)-2-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carboxylate
CID 57022513
1-O-tert-butyl 2-O-[2-(cyclohexylamino)-2-oxoethyl] (2S)-pyrrolidine-1,2-dicarboxylate
CID 11908648
(2S)-1-[(2R)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 124604992
tert-butyl (2S)-2-(azepane-1-carbonyl)pyrrolidine-1-carboxylate
CID 10469863
tert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate
CID 102268021
tert-butyl N-[(2S)-1-[2-[2-(cyclooctylamino)-1-hydroxy-2-oxoethyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 57182376
tert-butyl 2-[2-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 142730493
tert-butyl 2-(dihydroxymethyl)piperidine-1-carboxylate
CID 140989424
1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-2-carboxylic acid
CID 3292084
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
CID 143353751
tert-butyl (2R)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 95566963
tert-butyl 2-(2-formylpyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 18699591

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate (CID 57060946) is tert-butyl (2R)-2-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCCC1C(O)C(=O)NC1CCCCC1.
What is the InChIKey of tert-butyl (2R)-2-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate?
The InChIKey is LGQQJVATRHGMRY-LXPRWKDFSA-N. The full InChI is InChI=1S/C22H37N3O5/c1-22(2,3)30-21(29)25-14-8-12-17(25)20(28)24-13-7-11-16(24)18(26)19(27)23-15-9-5-4-6-10-15/h15-18,26H,4-14H2,1-3H3,(H,23,27)/t16?,17-,18?/m1/s1.
What are the key properties of tert-butyl (2R)-2-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate has a molecular weight of 423.55 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 57060946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).