[3-[(2-methoxy-2-phenylacetyl)amino]-4-oxoazetidin-2-yl] acetate

C14H16N2O5 — CID 57180808

IUPAC[3-[(2-methoxy-2-phenylacetyl)amino]-4-oxoazetidin-2-yl] acetate
SMILESCOC(C(=O)NC1C(=O)NC1OC(C)=O)c1ccccc1
InChIInChI=1S/C14H16N2O5/c1-8(17)21-14-10(12(18)16-14)15-13(19)11(20-2)9-6-4-3-5-7-9/h3-7,10-11,14H,1-2H3,(H,15,19)(H,16,18)
InChIKeyPRBDQZTUBSETJW-UHFFFAOYSA-N
MW292.29 g/mol
LogP-0.12
Rot. Bonds5

About [3-[(2-methoxy-2-phenylacetyl)amino]-4-oxoazetidin-2-yl] acetate

[3-[(2-methoxy-2-phenylacetyl)amino]-4-oxoazetidin-2-yl] acetate (PubChem CID 57180808) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is [3-[(2-methoxy-2-phenylacetyl)amino]-4-oxoazetidin-2-yl] acetate.

Molecular Properties

Compound Name[3-[(2-methoxy-2-phenylacetyl)amino]-4-oxoazetidin-2-yl] acetate
PubChem CID57180808
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name[3-[(2-methoxy-2-phenylacetyl)amino]-4-oxoazetidin-2-yl] acetate
SMILESCOC(C(=O)NC1C(=O)NC1OC(C)=O)c1ccccc1
InChIInChI=1S/C14H16N2O5/c1-8(17)21-14-10(12(18)16-14)15-13(19)11(20-2)9-6-4-3-5-7-9/h3-7,10-11,14H,1-2H3,(H,15,19)(H,16,18)
InChIKeyPRBDQZTUBSETJW-UHFFFAOYSA-N
XLogP-0.12
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[(2-methoxy-2-phenylacetyl)amino]-4-oxoazetidin-2-yl] acetate with MolForge

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Related Compounds

benzyl 3-[(2-acetyloxy-4-oxoazetidin-3-yl)amino]-3-oxo-2-phenylpropanoate
CID 67719105
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807
methyl (2R,3R)-3-[[2-(2-chloroacetyl)oxy-2-phenylacetyl]amino]-4-oxoazetidine-2-carboxylate
CID 54502130
methyl 3-[[2-(2-chloroacetyl)oxy-2-phenylacetyl]amino]-4-oxoazetidine-2-carboxylate
CID 54502129
N-(1,1-dioxothian-4-yl)-2-methoxy-2-phenylacetamide
CID 131950375
(2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide
CID 10060436
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
[(2S,3S)-3-[[(2S)-3-(3-deuteriothiophen-2-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-oxoazetidin-2-yl] acetate
CID 57011545
[(2S,3S)-4-oxo-3-[[(2S)-2-(phenylmethoxycarbonylamino)-3-pyridin-2-ylpropanoyl]amino]azetidin-2-yl] acetate
CID 18392500
(2R)-N-cyclopentyl-2-[[(2S)-2-methoxy-2-phenylacetyl]amino]propanamide
CID 95303216
[3-[[3-benzylsulfonyl-2-(morpholine-4-carbonylamino)propanoyl]amino]-4-oxoazetidin-2-yl] acetate
CID 69443596

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methoxy-2-phenylacetyl)amino]-4-oxoazetidin-2-yl] acetate?
The IUPAC name of [3-[(2-methoxy-2-phenylacetyl)amino]-4-oxoazetidin-2-yl] acetate (CID 57180808) is [3-[(2-methoxy-2-phenylacetyl)amino]-4-oxoazetidin-2-yl] acetate.
What is the SMILES notation for [3-[(2-methoxy-2-phenylacetyl)amino]-4-oxoazetidin-2-yl] acetate?
The canonical SMILES for [3-[(2-methoxy-2-phenylacetyl)amino]-4-oxoazetidin-2-yl] acetate is COC(C(=O)NC1C(=O)NC1OC(C)=O)c1ccccc1.
What is the InChIKey of [3-[(2-methoxy-2-phenylacetyl)amino]-4-oxoazetidin-2-yl] acetate?
The InChIKey is PRBDQZTUBSETJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-8(17)21-14-10(12(18)16-14)15-13(19)11(20-2)9-6-4-3-5-7-9/h3-7,10-11,14H,1-2H3,(H,15,19)(H,16,18).
What are the key properties of [3-[(2-methoxy-2-phenylacetyl)amino]-4-oxoazetidin-2-yl] acetate?
[3-[(2-methoxy-2-phenylacetyl)amino]-4-oxoazetidin-2-yl] acetate has a molecular weight of 292.29 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methoxy-2-phenylacetyl)amino]-4-oxoazetidin-2-yl] acetate is sourced from PubChem (CID 57180808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).