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

C12H22N2O4 — CID 10753691

IUPACtert-butyl N-[(2S)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)13-9(8-15)10(16)14-6-4-5-7-14/h9,15H,4-8H2,1-3H3,(H,13,17)/t9-/m0/s1
InChIKeyNKOMPMIQCRSRLE-VIFPVBQESA-N
MW258.32 g/mol
LogP0.49
Rot. Bonds3

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

tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate (PubChem CID 10753691) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
PubChem CID10753691
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nametert-butyl N-[(2S)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)13-9(8-15)10(16)14-6-4-5-7-14/h9,15H,4-8H2,1-3H3,(H,13,17)/t9-/m0/s1
InChIKeyNKOMPMIQCRSRLE-VIFPVBQESA-N
XLogP0.49
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Carbamic acid, (2-(2-formyl-1-pyrrolidinyl)-1-(hydroxymethyl)-2-oxoethyl)-, 1,1-dimethylethyl ester, (S-(R*,R*))-
CID 3063137
3-Hydroxy-2-methylamino-1-pyrrolidin-1-yl-butan-1-one
CID 118719173
(2S)-2-(((tert-butoxy)carbonyl)amino)-3-(2-oxopyrrolidin-1-yl)propanoic acid
CID 117608244
((R)-2-(2-hydroxyethyl)-3-oxo-isoxazolidin-4-yl)-carbamic acid tert-butyl ester
CID 67246826
Boc-Val-Ser-OMe
CID 10543581
(S)-tert-Butyl (3-hydroxy-1-(methoxy(methyl)amino)-1-oxopropan-2-yl)carbamate
CID 11075799
(S)-tert-butyl 2-((S)-3-hydroxy-1-methoxy-1-oxopropan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 11616671
Boc-Ser-Ala
CID 14657687
methyl (tert-butoxycarbonyl)glycyl-L-serinate
CID 15403773
tert-butyl N-[1-(3-hydroxypyrrolidine-1-carbonyl)-3-methyl-butyl]carbamate
CID 471358
tert-butyl N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxo-ethyl]carbamate
CID 471359
tert-butyl N-[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamate
CID 90244844

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate (CID 10753691) is tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CCCC1.
What is the InChIKey of tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
The InChIKey is NKOMPMIQCRSRLE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)13-9(8-15)10(16)14-6-4-5-7-14/h9,15H,4-8H2,1-3H3,(H,13,17)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate?
tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate has a molecular weight of 258.32 g/mol, XLogP of 0.49, 3 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-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate is sourced from PubChem (CID 10753691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).