propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate

C14H17NO4 — CID 14988500

IUPACpropan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate
SMILESCC(C)OC(=O)[C@@H]1CC(=O)N1OCc1ccccc1
InChIInChI=1S/C14H17NO4/c1-10(2)19-14(17)12-8-13(16)15(12)18-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m0/s1
InChIKeyUXPMVRRAWMGHFA-LBPRGKRZSA-N
MW263.29 g/mol
LogP1.67
Rot. Bonds5

About propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate

propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate (PubChem CID 14988500) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate
PubChem CID14988500
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namepropan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate
SMILESCC(C)OC(=O)[C@@H]1CC(=O)N1OCc1ccccc1
InChIInChI=1S/C14H17NO4/c1-10(2)19-14(17)12-8-13(16)15(12)18-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m0/s1
InChIKeyUXPMVRRAWMGHFA-LBPRGKRZSA-N
XLogP1.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate 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

(4R)-4-methyl-1-phenylmethoxyazetidin-2-one
CID 16752815
(2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid
CID 89169658
4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one
CID 69338065
tert-butyl 2,3-dioxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate
CID 15173394
methyl 3-oxo-5-(4-oxo-1-phenylmethoxyazetidin-2-yl)pentanoate
CID 14811604
benzyl 1-benzyl-4-oxoazetidine-2-carboxylate
CID 14759715
benzyl (2S)-3-cyclopropyl-2-methylpropanoate
CID 126562545
1-O-benzyl 4-O-propan-2-yl 3-oxopiperidine-1,4-dicarboxylate
CID 133056046
propan-2-yl (2R,3R)-3-[(E)-2-[(3aR,7aR)-1,3-dimethyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]ethenyl]-1-phenylmethoxyaziridine-2-carboxylate
CID 15506074
methyl 4-oxo-1-(phenylmethoxycarbonylamino)azetidine-2-carboxylate
CID 70468234
propan-2-yl 1-benzylpiperidine-4-carboxylate
CID 83983156
1-O-benzyl 4-O-propan-2-yl 3-oxopiperidine-1,4-dicarboxylate;hydrochloride
CID 133056045

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate?
The IUPAC name of propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate (CID 14988500) is propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate.
What is the SMILES notation for propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate?
The canonical SMILES for propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate is CC(C)OC(=O)[C@@H]1CC(=O)N1OCc1ccccc1.
What is the InChIKey of propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate?
The InChIKey is UXPMVRRAWMGHFA-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10(2)19-14(17)12-8-13(16)15(12)18-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate?
propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate is sourced from PubChem (CID 14988500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).