2-formamidoethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate

C16H19N3O7 — CID 15671336

IUPAC2-formamidoethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate
SMILESO=CNCCOC(=O)OCC1NC(=O)C1NC(=O)OCc1ccccc1
InChIInChI=1S/C16H19N3O7/c20-10-17-6-7-24-16(23)26-9-12-13(14(21)18-12)19-15(22)25-8-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H,17,20)(H,18,21)(H,19,22)
InChIKeyQCEZNLZGYCGXCY-UHFFFAOYSA-N
MW365.34 g/mol
LogP-0.32
Rot. Bonds9

About 2-formamidoethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate

2-formamidoethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate (PubChem CID 15671336) has the molecular formula C16H19N3O7 and a molecular weight of 365.34 g/mol. Its IUPAC name is 2-formamidoethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate.

Molecular Properties

Compound Name2-formamidoethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate
PubChem CID15671336
Molecular FormulaC16H19N3O7
Molecular Weight365.34 g/mol
Exact Mass365.12
IUPAC Name2-formamidoethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate
SMILESO=CNCCOC(=O)OCC1NC(=O)C1NC(=O)OCc1ccccc1
InChIInChI=1S/C16H19N3O7/c20-10-17-6-7-24-16(23)26-9-12-13(14(21)18-12)19-15(22)25-8-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H,17,20)(H,18,21)(H,19,22)
InChIKeyQCEZNLZGYCGXCY-UHFFFAOYSA-N
XLogP-0.32
TPSA132.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-formamidoethyl [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate
CID 54333274
methyl 3-[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]propanoate
CID 67630207
benzyl N-[(2R,3S)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 70415779
benzyl N-[(2R,3R)-2-acetyl-4-oxoazetidin-3-yl]carbamate
CID 54247862
benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate
CID 54247861
benzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate
CID 54479778
benzyl N-[(2R,3S)-2-(2-bromoethoxy)-4-oxoazetidin-3-yl]carbamate
CID 15858810
(4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 86281418
benzyl N-[(2S)-2-formylcyclohexyl]carbamate
CID 89323392
benzyl N-[(2S,3S,4R)-4-ethyl-2-(2-methylpropyl)-5-oxopyrrolidin-3-yl]carbamate
CID 11726901
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[5-[(2S)-3-oxoaziridin-2-yl]pentyl]carbamate
CID 122390563

Frequently Asked Questions

What is the IUPAC name of 2-formamidoethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate?
The IUPAC name of 2-formamidoethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate (CID 15671336) is 2-formamidoethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate.
What is the SMILES notation for 2-formamidoethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate?
The canonical SMILES for 2-formamidoethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate is O=CNCCOC(=O)OCC1NC(=O)C1NC(=O)OCc1ccccc1.
What is the InChIKey of 2-formamidoethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate?
The InChIKey is QCEZNLZGYCGXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O7/c20-10-17-6-7-24-16(23)26-9-12-13(14(21)18-12)19-15(22)25-8-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of 2-formamidoethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate?
2-formamidoethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate has a molecular weight of 365.34 g/mol, XLogP of -0.32, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamidoethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate is sourced from PubChem (CID 15671336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).