benzoyloxy(benzyl)carbamic acid

C15H13NO4 — CID 88793521

IUPACbenzoyloxy(benzyl)carbamic acid
SMILESO=C(ON(Cc1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C15H13NO4/c17-14(13-9-5-2-6-10-13)20-16(15(18)19)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,18,19)
InChIKeyYZORLNZZTIIOAW-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.94
Rot. Bonds3

About benzoyloxy(benzyl)carbamic acid

benzoyloxy(benzyl)carbamic acid (PubChem CID 88793521) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is benzoyloxy(benzyl)carbamic acid.

Molecular Properties

Compound Namebenzoyloxy(benzyl)carbamic acid
PubChem CID88793521
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Namebenzoyloxy(benzyl)carbamic acid
SMILESO=C(ON(Cc1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C15H13NO4/c17-14(13-9-5-2-6-10-13)20-16(15(18)19)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,18,19)
InChIKeyYZORLNZZTIIOAW-UHFFFAOYSA-N
XLogP2.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[benzyl-[(E)-4-phenylbut-3-enoyl]amino] benzoate
CID 11728397
benzyl(methanethioyloxy)carbamic acid
CID 91111214
[acetyl(benzyl)amino] acetate
CID 131850460
benzyl benzoate
CID 2345
[ethoxycarbonyl(propyl)amino] benzoate
CID 91465918
[acetyl(butyl)amino] benzoate
CID 152981173
benzyl(bromo)carbamic acid
CID 87217964
[2-(dibenzylamino)-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 2531997
benzyl N-benzyl-N-[benzyl(phenylmethoxycarbonyl)amino]oxycarbamate
CID 57277230
[methyl(propyl)amino] benzoate
CID 87875558
1-benzyl-1-phenylmethoxyurea
CID 22444379
2-(N-benzoyloxyanilino)acetic acid
CID 174582365

Frequently Asked Questions

What is the IUPAC name of benzoyloxy(benzyl)carbamic acid?
The IUPAC name of benzoyloxy(benzyl)carbamic acid (CID 88793521) is benzoyloxy(benzyl)carbamic acid.
What is the SMILES notation for benzoyloxy(benzyl)carbamic acid?
The canonical SMILES for benzoyloxy(benzyl)carbamic acid is O=C(ON(Cc1ccccc1)C(=O)O)c1ccccc1.
What is the InChIKey of benzoyloxy(benzyl)carbamic acid?
The InChIKey is YZORLNZZTIIOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c17-14(13-9-5-2-6-10-13)20-16(15(18)19)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,18,19).
What are the key properties of benzoyloxy(benzyl)carbamic acid?
benzoyloxy(benzyl)carbamic acid has a molecular weight of 271.27 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyloxy(benzyl)carbamic acid is sourced from PubChem (CID 88793521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).