tert-butyl N-[(2S)-3-(4-hydroxycyclohexyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate

C18H32N2O4 — CID 143146338

IUPACtert-butyl N-[(2S)-3-(4-hydroxycyclohexyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CC1CCC(O)CC1)C(=O)N1CCCC1
InChIInChI=1S/C18H32N2O4/c1-18(2,3)24-17(23)19-15(16(22)20-10-4-5-11-20)12-13-6-8-14(21)9-7-13/h13-15,21H,4-12H2,1-3H3,(H,19,23)/t13?,14?,15-/m0/s1
InChIKeyKZZXHIRRBAHSRP-NRXISQOPSA-N
MW340.46 g/mol
LogP2.44
Rot. Bonds4

About tert-butyl N-[(2S)-3-(4-hydroxycyclohexyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate

tert-butyl N-[(2S)-3-(4-hydroxycyclohexyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate (PubChem CID 143146338) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-(4-hydroxycyclohexyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-(4-hydroxycyclohexyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
PubChem CID143146338
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Nametert-butyl N-[(2S)-3-(4-hydroxycyclohexyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CC1CCC(O)CC1)C(=O)N1CCCC1
InChIInChI=1S/C18H32N2O4/c1-18(2,3)24-17(23)19-15(16(22)20-10-4-5-11-20)12-13-6-8-14(21)9-7-13/h13-15,21H,4-12H2,1-3H3,(H,19,23)/t13?,14?,15-/m0/s1
InChIKeyKZZXHIRRBAHSRP-NRXISQOPSA-N
XLogP2.44
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-(4-hydroxycyclohexyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-(4-hydroxycyclohexyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate (CID 143146338) is tert-butyl N-[(2S)-3-(4-hydroxycyclohexyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-(4-hydroxycyclohexyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-(4-hydroxycyclohexyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CC1CCC(O)CC1)C(=O)N1CCCC1.
What is the InChIKey of tert-butyl N-[(2S)-3-(4-hydroxycyclohexyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
The InChIKey is KZZXHIRRBAHSRP-NRXISQOPSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-18(2,3)24-17(23)19-15(16(22)20-10-4-5-11-20)12-13-6-8-14(21)9-7-13/h13-15,21H,4-12H2,1-3H3,(H,19,23)/t13?,14?,15-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-(4-hydroxycyclohexyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
tert-butyl N-[(2S)-3-(4-hydroxycyclohexyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate has a molecular weight of 340.46 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-(4-hydroxycyclohexyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate is sourced from PubChem (CID 143146338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).