tert-butyl (2S)-2-phenoxycarbonyloxypropanoate

C14H18O5 — CID 177161092

IUPACtert-butyl (2S)-2-phenoxycarbonyloxypropanoate
SMILESC[C@H](OC(=O)Oc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H18O5/c1-10(12(15)19-14(2,3)4)17-13(16)18-11-8-6-5-7-9-11/h5-10H,1-4H3/t10-/m0/s1
InChIKeyHKHJXTVODJOJCC-JTQLQIEISA-N
MW266.29 g/mol
LogP2.93
Rot. Bonds3

About tert-butyl (2S)-2-phenoxycarbonyloxypropanoate

tert-butyl (2S)-2-phenoxycarbonyloxypropanoate (PubChem CID 177161092) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is tert-butyl (2S)-2-phenoxycarbonyloxypropanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-phenoxycarbonyloxypropanoate
PubChem CID177161092
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Nametert-butyl (2S)-2-phenoxycarbonyloxypropanoate
SMILESC[C@H](OC(=O)Oc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H18O5/c1-10(12(15)19-14(2,3)4)17-13(16)18-11-8-6-5-7-9-11/h5-10H,1-4H3/t10-/m0/s1
InChIKeyHKHJXTVODJOJCC-JTQLQIEISA-N
XLogP2.93
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze tert-butyl (2S)-2-phenoxycarbonyloxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl 1,2,2,2-tetrachloroethyl carbonate
CID 67688124
tert-butyl 2-benzhydryloxypropanoate
CID 19020212
tert-butyl 3-hydroxy-2-methyl-3-phenylpropanoate
CID 571985
tert-butyl 2-(3-methylphenoxy)propanoate
CID 66337727
phenyl (NE)-N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
CID 15073140
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
tert-butyl [4-[2-methyl-1-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propyl]phenyl] carbonate
CID 173242244
phenyl (2S)-2-methoxypropanoate
CID 12621314
[2-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxy-2-oxoethyl] 2-(2-phenylmethoxyacetyl)oxypropanoate
CID 142213099
[4-(4-anilinoanilino)phenyl] tert-butyl carbonate
CID 19763252
tert-butyl (2S)-2-amino-3-phenoxypropanoate
CID 163342114

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-phenoxycarbonyloxypropanoate?
The IUPAC name of tert-butyl (2S)-2-phenoxycarbonyloxypropanoate (CID 177161092) is tert-butyl (2S)-2-phenoxycarbonyloxypropanoate.
What is the SMILES notation for tert-butyl (2S)-2-phenoxycarbonyloxypropanoate?
The canonical SMILES for tert-butyl (2S)-2-phenoxycarbonyloxypropanoate is C[C@H](OC(=O)Oc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-phenoxycarbonyloxypropanoate?
The InChIKey is HKHJXTVODJOJCC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18O5/c1-10(12(15)19-14(2,3)4)17-13(16)18-11-8-6-5-7-9-11/h5-10H,1-4H3/t10-/m0/s1.
What are the key properties of tert-butyl (2S)-2-phenoxycarbonyloxypropanoate?
tert-butyl (2S)-2-phenoxycarbonyloxypropanoate has a molecular weight of 266.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-phenoxycarbonyloxypropanoate is sourced from PubChem (CID 177161092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).