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

C13H24N2O4 — CID 54268213

IUPACtert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate
SMILESC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC1
InChIInChI=1S/C13H24N2O4/c1-9(16)10(11(17)15-7-5-6-8-15)14-12(18)19-13(2,3)4/h9-10,16H,5-8H2,1-4H3,(H,14,18)/t9-,10+/m1/s1
InChIKeyRIGNMSADIZJMRS-ZJUUUORDSA-N
MW272.34 g/mol
LogP0.88
Rot. Bonds3

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

tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate (PubChem CID 54268213) 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-1-ylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate
PubChem CID54268213
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate
SMILESC[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC1
InChIInChI=1S/C13H24N2O4/c1-9(16)10(11(17)15-7-5-6-8-15)14-12(18)19-13(2,3)4/h9-10,16H,5-8H2,1-4H3,(H,14,18)/t9-,10+/m1/s1
InChIKeyRIGNMSADIZJMRS-ZJUUUORDSA-N
XLogP0.88
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.88
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
(2S)-2-[4-(Boc-amino)-2-oxo-1-pyrrolidinyl]propanoic acid
CID 134817307
Thr-Ala-Ala
CID 71728352
((R)-2-(2-hydroxyethyl)-3-oxo-isoxazolidin-4-yl)-carbamic acid tert-butyl ester
CID 67246826
Boc-Val-Ser-OMe
CID 10543581
tert-butyl (2S)-2-[[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 10616412
(S)-tert-butyl 2-((S)-3-hydroxy-1-methoxy-1-oxopropan-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 11616671
Boc-Ser-Ala
CID 14657687
Methyl 2-((2-((tert-butoxycarbonyl)amino)propanoyl)amino)-3-hydroxybutanoate
CID 267447
tert-butyl N-[1-(3-hydroxypyrrolidine-1-carbonyl)-3-methyl-butyl]carbamate
CID 471358

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate (CID 54268213) is tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate is C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC1.
What is the InChIKey of tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate?
The InChIKey is RIGNMSADIZJMRS-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(16)10(11(17)15-7-5-6-8-15)14-12(18)19-13(2,3)4/h9-10,16H,5-8H2,1-4H3,(H,14,18)/t9-,10+/m1/s1.
What are the key properties of tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate?
tert-butyl N-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate has a molecular weight of 272.34 g/mol, XLogP of 0.88, 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,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate is sourced from PubChem (CID 54268213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).