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

C16H19N3O8 — CID 19834464

IUPAC2-carbamoyloxyethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate
SMILESNC(=O)OCCOC(=O)OCC1NC(=O)C1NC(=O)OCc1ccccc1
InChIInChI=1S/C16H19N3O8/c17-14(21)24-6-7-25-16(23)27-9-11-12(13(20)18-11)19-15(22)26-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,17,21)(H,18,20)(H,19,22)
InChIKeyHZDGDXFZAFGLDV-UHFFFAOYSA-N
MW381.34 g/mol
LogP0.03
Rot. Bonds8

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

2-carbamoyloxyethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate (PubChem CID 19834464) has the molecular formula C16H19N3O8 and a molecular weight of 381.34 g/mol. Its IUPAC name is 2-carbamoyloxyethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate.

Molecular Properties

Compound Name2-carbamoyloxyethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate
PubChem CID19834464
Molecular FormulaC16H19N3O8
Molecular Weight381.34 g/mol
Exact Mass381.12
IUPAC Name2-carbamoyloxyethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate
SMILESNC(=O)OCCOC(=O)OCC1NC(=O)C1NC(=O)OCc1ccccc1
InChIInChI=1S/C16H19N3O8/c17-14(21)24-6-7-25-16(23)27-9-11-12(13(20)18-11)19-15(22)26-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,17,21)(H,18,20)(H,19,22)
InChIKeyHZDGDXFZAFGLDV-UHFFFAOYSA-N
XLogP0.03
TPSA155.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-carbamoyloxyethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate?
The IUPAC name of 2-carbamoyloxyethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate (CID 19834464) is 2-carbamoyloxyethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate.
What is the SMILES notation for 2-carbamoyloxyethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate?
The canonical SMILES for 2-carbamoyloxyethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate is NC(=O)OCCOC(=O)OCC1NC(=O)C1NC(=O)OCc1ccccc1.
What is the InChIKey of 2-carbamoyloxyethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate?
The InChIKey is HZDGDXFZAFGLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O8/c17-14(21)24-6-7-25-16(23)27-9-11-12(13(20)18-11)19-15(22)26-8-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,17,21)(H,18,20)(H,19,22).
What are the key properties of 2-carbamoyloxyethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate?
2-carbamoyloxyethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate has a molecular weight of 381.34 g/mol, XLogP of 0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyloxyethyl [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl]methyl carbonate is sourced from PubChem (CID 19834464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).