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

C13H24N2O4 — CID 174380808

IUPACtert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-2-ylbutan-2-yl]carbamate
SMILESC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)C1CCCN1
InChIInChI=1S/C13H24N2O4/c1-8(16)10(11(17)9-6-5-7-14-9)15-12(18)19-13(2,3)4/h8-10,14,16H,5-7H2,1-4H3,(H,15,18)/t8-,9?,10+/m1/s1
InChIKeyPDVXHKPMLYXADT-FIBVVXLUSA-N
MW272.34 g/mol
LogP0.58
Rot. Bonds4

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

tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-2-ylbutan-2-yl]carbamate (PubChem CID 174380808) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-2-ylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-2-ylbutan-2-yl]carbamate
PubChem CID174380808
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-2-ylbutan-2-yl]carbamate
SMILESC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)C1CCCN1
InChIInChI=1S/C13H24N2O4/c1-8(16)10(11(17)9-6-5-7-14-9)15-12(18)19-13(2,3)4/h8-10,14,16H,5-7H2,1-4H3,(H,15,18)/t8-,9?,10+/m1/s1
InChIKeyPDVXHKPMLYXADT-FIBVVXLUSA-N
XLogP0.58
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(1S,2S,3S)-1,2-dihydroxy-4-methyl-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate
CID 101346841
(2S,3R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)butanoic acid
CID 104965322
tert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 11778633
tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
tert-butyl N-[3-(1-pyrrolidin-2-ylethenylamino)cyclobutyl]carbamate
CID 169248545
2-methyl-1-[(2R)-pyrrolidin-2-yl]propan-1-one
CID 59038032
cesium 3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 87920058
tert-butyl N-[(3S,4R)-1-amino-4-hydroxy-1,2-dioxopentan-3-yl]carbamate
CID 130405478
2-(azocane-2-carbonylamino)-3-hydroxybutanoic acid
CID 114240096
(2S)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoic acid
CID 145457597
N-[(1R)-1-hydroxyethyl]pyrrolidine-2-carboxamide
CID 175256598
tert-butyl N-[1-(cyclobutylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 62414196

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-2-ylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-2-ylbutan-2-yl]carbamate (CID 174380808) is tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-2-ylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-2-ylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-2-ylbutan-2-yl]carbamate is C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)C1CCCN1.
What is the InChIKey of tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-2-ylbutan-2-yl]carbamate?
The InChIKey is PDVXHKPMLYXADT-FIBVVXLUSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-8(16)10(11(17)9-6-5-7-14-9)15-12(18)19-13(2,3)4/h8-10,14,16H,5-7H2,1-4H3,(H,15,18)/t8-,9?,10+/m1/s1.
What are the key properties of tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-2-ylbutan-2-yl]carbamate?
tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-2-ylbutan-2-yl]carbamate has a molecular weight of 272.34 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-2-ylbutan-2-yl]carbamate is sourced from PubChem (CID 174380808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).