benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxopentan-2-yl]-4-oxoazetidine-2-carboxylate

C19H24N2O6 — CID 5278792

IUPACbenzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxopentan-2-yl]-4-oxoazetidine-2-carboxylate
SMILESCCCC(C(=O)NCC(=O)OC)N1C(=O)CC1C(=O)OCc1ccccc1
InChIInChI=1S/C19H24N2O6/c1-3-7-14(18(24)20-11-17(23)26-2)21-15(10-16(21)22)19(25)27-12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3,(H,20,24)
InChIKeyTVWXDQQDBLNOFC-UHFFFAOYSA-N
MW376.41 g/mol
LogP0.79
Rot. Bonds9

About benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxopentan-2-yl]-4-oxoazetidine-2-carboxylate

benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxopentan-2-yl]-4-oxoazetidine-2-carboxylate (PubChem CID 5278792) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxopentan-2-yl]-4-oxoazetidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxopentan-2-yl]-4-oxoazetidine-2-carboxylate
PubChem CID5278792
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Namebenzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxopentan-2-yl]-4-oxoazetidine-2-carboxylate
SMILESCCCC(C(=O)NCC(=O)OC)N1C(=O)CC1C(=O)OCc1ccccc1
InChIInChI=1S/C19H24N2O6/c1-3-7-14(18(24)20-11-17(23)26-2)21-15(10-16(21)22)19(25)27-12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3,(H,20,24)
InChIKeyTVWXDQQDBLNOFC-UHFFFAOYSA-N
XLogP0.79
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxopentan-2-yl]-4-oxoazetidine-2-carboxylate?
The IUPAC name of benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxopentan-2-yl]-4-oxoazetidine-2-carboxylate (CID 5278792) is benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxopentan-2-yl]-4-oxoazetidine-2-carboxylate.
What is the SMILES notation for benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxopentan-2-yl]-4-oxoazetidine-2-carboxylate?
The canonical SMILES for benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxopentan-2-yl]-4-oxoazetidine-2-carboxylate is CCCC(C(=O)NCC(=O)OC)N1C(=O)CC1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxopentan-2-yl]-4-oxoazetidine-2-carboxylate?
The InChIKey is TVWXDQQDBLNOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-3-7-14(18(24)20-11-17(23)26-2)21-15(10-16(21)22)19(25)27-12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3,(H,20,24).
What are the key properties of benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxopentan-2-yl]-4-oxoazetidine-2-carboxylate?
benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxopentan-2-yl]-4-oxoazetidine-2-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 0.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-[1-[(2-methoxy-2-oxoethyl)amino]-1-oxopentan-2-yl]-4-oxoazetidine-2-carboxylate is sourced from PubChem (CID 5278792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).