tert-butyl (4S)-4-[(methylcarbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate

C11H19N3O5 — CID 135036918

IUPACtert-butyl (4S)-4-[(methylcarbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCNC(=O)NC[C@H]1C(=O)OCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19N3O5/c1-11(2,3)19-10(17)14-6-18-8(15)7(14)5-13-9(16)12-4/h7H,5-6H2,1-4H3,(H2,12,13,16)/t7-/m0/s1
InChIKeyHBGRISNQSZLBHA-ZETCQYMHSA-N
MW273.29 g/mol
LogP0.04
Rot. Bonds2

About tert-butyl (4S)-4-[(methylcarbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(methylcarbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 135036918) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(methylcarbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(methylcarbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID135036918
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Nametert-butyl (4S)-4-[(methylcarbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCNC(=O)NC[C@H]1C(=O)OCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H19N3O5/c1-11(2,3)19-10(17)14-6-18-8(15)7(14)5-13-9(16)12-4/h7H,5-6H2,1-4H3,(H2,12,13,16)/t7-/m0/s1
InChIKeyHBGRISNQSZLBHA-ZETCQYMHSA-N
XLogP0.04
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (4S)-2-oxoimidazolidine-4-carboxylate
CID 10606858
tert-Butyl (4S)-1-methyl-2-oxoimidazolidine-4-carboxylate
CID 13053976
Methyl 2-oxoimidazolidine-4-carboxylate
CID 21639963
Tert-butyl 3-[(2-methoxy-2-oxoethyl)amino]pyrrolidine-1-carboxylate
CID 66758491
Tert-butyl 2-oxoimidazolidine-4-carboxylate
CID 69230535
1,4-Di-tert-butyl 2-oxoimidazolidine-1,4-dicarboxylate
CID 122155788
tert-butyl (3S)-3-[(2-methoxy-2-oxoethyl)amino]pyrrolidine-1-carboxylate
CID 133605848
Propan-2-yl 4-methyl-2-oxoimidazolidine-4-carboxylate
CID 139260826
2-[(t-Butoxycarbonyl)amino]-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid
CID 171919159
methyl (4S)-1-acetyl-2-oxoimidazolidine-4-carboxylate
CID 385474
tert-butyl (4S)-4-[[[(2S)-1-hydroxybutan-2-yl]carbamoylamino]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 11695642
tert-butyl (4S)-4-[(hexadecylcarbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 134864021

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(methylcarbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(methylcarbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate (CID 135036918) is tert-butyl (4S)-4-[(methylcarbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(methylcarbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(methylcarbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate is CNC(=O)NC[C@H]1C(=O)OCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(methylcarbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is HBGRISNQSZLBHA-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-11(2,3)19-10(17)14-6-18-8(15)7(14)5-13-9(16)12-4/h7H,5-6H2,1-4H3,(H2,12,13,16)/t7-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(methylcarbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(methylcarbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(methylcarbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 135036918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).