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

C17H30N2O4 — CID 57022513

IUPACtert-butyl 2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(O)C(=O)NC1CCCCC1
InChIInChI=1S/C17H30N2O4/c1-17(2,3)23-16(22)19-11-7-10-13(19)14(20)15(21)18-12-8-5-4-6-9-12/h12-14,20H,4-11H2,1-3H3,(H,18,21)
InChIKeyIQKVSNZYEVGPHP-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.20
Rot. Bonds3

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

tert-butyl 2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carboxylate (PubChem CID 57022513) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl 2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carboxylate
PubChem CID57022513
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Nametert-butyl 2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(O)C(=O)NC1CCCCC1
InChIInChI=1S/C17H30N2O4/c1-17(2,3)23-16(22)19-11-7-10-13(19)14(20)15(21)18-12-8-5-4-6-9-12/h12-14,20H,4-11H2,1-3H3,(H,18,21)
InChIKeyIQKVSNZYEVGPHP-UHFFFAOYSA-N
XLogP2.20
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-[2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 57060946
tert-butyl (2S)-2-[(S)-cyclohexyl(hydroxy)methyl]piperidine-1-carboxylate
CID 102268021
tert-butyl 2-(dihydroxymethyl)piperidine-1-carboxylate
CID 140989424
tert-butyl (2R)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 95566963
tert-butyl 2-[(1R)-1-hydroxyethyl]piperidine-1-carboxylate
CID 130691829
tert-butyl (2S)-2-[(1S)-1-hydroxyethyl]piperidine-1-carboxylate
CID 94855628
(2R)-2-[[2-hydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetyl]amino]-4-methylpentanoic acid
CID 67876270
tert-butyl 2-(2-ethoxy-1-hydroxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 134373593
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-(1-hydroxy-2,2-dimethylpropyl)piperidine-1-carboxylate
CID 102537940
2-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-2-yl]acetic acid
CID 83668029
tert-butyl (2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate
CID 102477716

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carboxylate (CID 57022513) is tert-butyl 2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1C(O)C(=O)NC1CCCCC1.
What is the InChIKey of tert-butyl 2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carboxylate?
The InChIKey is IQKVSNZYEVGPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-17(2,3)23-16(22)19-11-7-10-13(19)14(20)15(21)18-12-8-5-4-6-9-12/h12-14,20H,4-11H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl 2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 57022513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).