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

C16H19N3O7 — CID 54333274

IUPAC1-formamidoethyl [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate
SMILESCC(NC=O)OC(=O)OC[C@@H]1NC(=O)[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C16H19N3O7/c1-10(17-9-20)26-16(23)25-8-12-13(14(21)18-12)19-15(22)24-7-11-5-3-2-4-6-11/h2-6,9-10,12-13H,7-8H2,1H3,(H,17,20)(H,18,21)(H,19,22)/t10?,12-,13+/m0/s1
InChIKeySZVGEZQVBUTQDM-HEVMSJOKSA-N
MW365.34 g/mol
LogP0.03
Rot. Bonds8

About 1-formamidoethyl [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate

1-formamidoethyl [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate (PubChem CID 54333274) has the molecular formula C16H19N3O7 and a molecular weight of 365.34 g/mol. Its IUPAC name is 1-formamidoethyl [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate.

Molecular Properties

Compound Name1-formamidoethyl [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate
PubChem CID54333274
Molecular FormulaC16H19N3O7
Molecular Weight365.34 g/mol
Exact Mass365.12
IUPAC Name1-formamidoethyl [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate
SMILESCC(NC=O)OC(=O)OC[C@@H]1NC(=O)[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C16H19N3O7/c1-10(17-9-20)26-16(23)25-8-12-13(14(21)18-12)19-15(22)24-7-11-5-3-2-4-6-11/h2-6,9-10,12-13H,7-8H2,1H3,(H,17,20)(H,18,21)(H,19,22)/t10?,12-,13+/m0/s1
InChIKeySZVGEZQVBUTQDM-HEVMSJOKSA-N
XLogP0.03
TPSA132.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-formamidoethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate
CID 15671336
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-(2-acetyl-4-oxoazetidin-3-yl)carbamate
CID 54247861
benzyl N-[(2R,3R)-2-acetyl-4-oxoazetidin-3-yl]carbamate
CID 54247862
benzyl N-[(2S,3S,4R)-4-ethyl-2-(2-methylpropyl)-5-oxopyrrolidin-3-yl]carbamate
CID 11726901
benzyl N-(2-oxo-4-phenoxyazetidin-3-yl)carbamate
CID 54479778
benzyl 2-[[(2R,3R)-2-(2-methylpropyl)-4-oxoazetidin-3-yl]amino]propanoate
CID 22822744
(4-phenylphenyl)methyl N-[(2R,3R)-2-methyl-4-oxoazetidin-3-yl]carbamate
CID 86281418
benzyl N-[(2R,3S)-2-(2-bromoethoxy)-4-oxoazetidin-3-yl]carbamate
CID 15858810
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[(2S)-1-[[(2S,3S)-2-(1-bromoethoxy)-4-oxoazetidin-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 70097158

Frequently Asked Questions

What is the IUPAC name of 1-formamidoethyl [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate?
The IUPAC name of 1-formamidoethyl [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate (CID 54333274) is 1-formamidoethyl [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate.
What is the SMILES notation for 1-formamidoethyl [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate?
The canonical SMILES for 1-formamidoethyl [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate is CC(NC=O)OC(=O)OC[C@@H]1NC(=O)[C@@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of 1-formamidoethyl [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate?
The InChIKey is SZVGEZQVBUTQDM-HEVMSJOKSA-N. The full InChI is InChI=1S/C16H19N3O7/c1-10(17-9-20)26-16(23)25-8-12-13(14(21)18-12)19-15(22)24-7-11-5-3-2-4-6-11/h2-6,9-10,12-13H,7-8H2,1H3,(H,17,20)(H,18,21)(H,19,22)/t10?,12-,13+/m0/s1.
What are the key properties of 1-formamidoethyl [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate?
1-formamidoethyl [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate has a molecular weight of 365.34 g/mol, XLogP of 0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formamidoethyl [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate is sourced from PubChem (CID 54333274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).