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

C10H17N3O5 — CID 135037030

IUPACtert-butyl (4S)-4-[(carbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1COC(=O)[C@@H]1CNC(N)=O
InChIInChI=1S/C10H17N3O5/c1-10(2,3)18-9(16)13-5-17-7(14)6(13)4-12-8(11)15/h6H,4-5H2,1-3H3,(H3,11,12,15)/t6-/m0/s1
InChIKeyXCQBQNAOGPQRPS-LURJTMIESA-N
MW259.26 g/mol
LogP-0.23
Rot. Bonds2

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

tert-butyl (4S)-4-[(carbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 135037030) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(carbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(carbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID135037030
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Nametert-butyl (4S)-4-[(carbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1COC(=O)[C@@H]1CNC(N)=O
InChIInChI=1S/C10H17N3O5/c1-10(2,3)18-9(16)13-5-17-7(14)6(13)4-12-8(11)15/h6H,4-5H2,1-3H3,(H3,11,12,15)/t6-/m0/s1
InChIKeyXCQBQNAOGPQRPS-LURJTMIESA-N
XLogP-0.23
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(carbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(carbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate (CID 135037030) is tert-butyl (4S)-4-[(carbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(carbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(carbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1COC(=O)[C@@H]1CNC(N)=O.
What is the InChIKey of tert-butyl (4S)-4-[(carbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is XCQBQNAOGPQRPS-LURJTMIESA-N. The full InChI is InChI=1S/C10H17N3O5/c1-10(2,3)18-9(16)13-5-17-7(14)6(13)4-12-8(11)15/h6H,4-5H2,1-3H3,(H3,11,12,15)/t6-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(carbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(carbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 259.26 g/mol, XLogP of -0.23, 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-[(carbamoylamino)methyl]-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 135037030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).