tert-butyl (4S)-2-oxo-4-phenylimidazolidine-1-carboxylate

C14H18N2O3 — CID 155394671

IUPACtert-butyl (4S)-2-oxo-4-phenylimidazolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](c2ccccc2)NC1=O
InChIInChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-9-11(15-12(16)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyHKXNRKROHTYMIQ-LLVKDONJSA-N
MW262.31 g/mol
LogP2.69
Rot. Bonds1

About tert-butyl (4S)-2-oxo-4-phenylimidazolidine-1-carboxylate

tert-butyl (4S)-2-oxo-4-phenylimidazolidine-1-carboxylate (PubChem CID 155394671) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is tert-butyl (4S)-2-oxo-4-phenylimidazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-2-oxo-4-phenylimidazolidine-1-carboxylate
PubChem CID155394671
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nametert-butyl (4S)-2-oxo-4-phenylimidazolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](c2ccccc2)NC1=O
InChIInChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-9-11(15-12(16)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyHKXNRKROHTYMIQ-LLVKDONJSA-N
XLogP2.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-2-oxo-4-phenylimidazolidine-1-carboxylate?
The IUPAC name of tert-butyl (4S)-2-oxo-4-phenylimidazolidine-1-carboxylate (CID 155394671) is tert-butyl (4S)-2-oxo-4-phenylimidazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4S)-2-oxo-4-phenylimidazolidine-1-carboxylate?
The canonical SMILES for tert-butyl (4S)-2-oxo-4-phenylimidazolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)NC1=O.
What is the InChIKey of tert-butyl (4S)-2-oxo-4-phenylimidazolidine-1-carboxylate?
The InChIKey is HKXNRKROHTYMIQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-9-11(15-12(16)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,17)/t11-/m1/s1.
What are the key properties of tert-butyl (4S)-2-oxo-4-phenylimidazolidine-1-carboxylate?
tert-butyl (4S)-2-oxo-4-phenylimidazolidine-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-2-oxo-4-phenylimidazolidine-1-carboxylate is sourced from PubChem (CID 155394671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).