(3-carbamoyloxy-2-hydroxy-2-phenylpropyl) carbamate

C11H14N2O5 — CID 10400039

IUPAC(3-carbamoyloxy-2-hydroxy-2-phenylpropyl) carbamate
SMILESNC(=O)OCC(O)(COC(N)=O)c1ccccc1
InChIInChI=1S/C11H14N2O5/c12-9(14)17-6-11(16,7-18-10(13)15)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H2,12,14)(H2,13,15)
InChIKeyVTXNIAJKDLEHGX-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.06
Rot. Bonds5

About (3-carbamoyloxy-2-hydroxy-2-phenylpropyl) carbamate

(3-carbamoyloxy-2-hydroxy-2-phenylpropyl) carbamate (PubChem CID 10400039) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is (3-carbamoyloxy-2-hydroxy-2-phenylpropyl) carbamate.

Molecular Properties

Compound Name(3-carbamoyloxy-2-hydroxy-2-phenylpropyl) carbamate
PubChem CID10400039
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name(3-carbamoyloxy-2-hydroxy-2-phenylpropyl) carbamate
SMILESNC(=O)OCC(O)(COC(N)=O)c1ccccc1
InChIInChI=1S/C11H14N2O5/c12-9(14)17-6-11(16,7-18-10(13)15)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H2,12,14)(H2,13,15)
InChIKeyVTXNIAJKDLEHGX-UHFFFAOYSA-N
XLogP0.06
TPSA124.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-carbamoyloxy-2-hydroxy-2-phenylpropyl) carbamate?
The IUPAC name of (3-carbamoyloxy-2-hydroxy-2-phenylpropyl) carbamate (CID 10400039) is (3-carbamoyloxy-2-hydroxy-2-phenylpropyl) carbamate.
What is the SMILES notation for (3-carbamoyloxy-2-hydroxy-2-phenylpropyl) carbamate?
The canonical SMILES for (3-carbamoyloxy-2-hydroxy-2-phenylpropyl) carbamate is NC(=O)OCC(O)(COC(N)=O)c1ccccc1.
What is the InChIKey of (3-carbamoyloxy-2-hydroxy-2-phenylpropyl) carbamate?
The InChIKey is VTXNIAJKDLEHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c12-9(14)17-6-11(16,7-18-10(13)15)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H2,12,14)(H2,13,15).
What are the key properties of (3-carbamoyloxy-2-hydroxy-2-phenylpropyl) carbamate?
(3-carbamoyloxy-2-hydroxy-2-phenylpropyl) carbamate has a molecular weight of 254.24 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoyloxy-2-hydroxy-2-phenylpropyl) carbamate is sourced from PubChem (CID 10400039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).