(2-carbamoylphenyl) hydrogen carbonate

C8H7NO4 — CID 91199327

IUPAC(2-carbamoylphenyl) hydrogen carbonate
SMILESNC(=O)c1ccccc1OC(=O)O
InChIInChI=1S/C8H7NO4/c9-7(10)5-3-1-2-4-6(5)13-8(11)12/h1-4H,(H2,9,10)(H,11,12)
InChIKeyHWUYIPGOQUCFIR-UHFFFAOYSA-N
MW181.15 g/mol
LogP0.84
Rot. Bonds2

About (2-carbamoylphenyl) hydrogen carbonate

(2-carbamoylphenyl) hydrogen carbonate (PubChem CID 91199327) has the molecular formula C8H7NO4 and a molecular weight of 181.15 g/mol. Its IUPAC name is (2-carbamoylphenyl) hydrogen carbonate.

Molecular Properties

Compound Name(2-carbamoylphenyl) hydrogen carbonate
PubChem CID91199327
Molecular FormulaC8H7NO4
Molecular Weight181.15 g/mol
Exact Mass181.04
IUPAC Name(2-carbamoylphenyl) hydrogen carbonate
SMILESNC(=O)c1ccccc1OC(=O)O
InChIInChI=1S/C8H7NO4/c9-7(10)5-3-1-2-4-6(5)13-8(11)12/h1-4H,(H2,9,10)(H,11,12)
InChIKeyHWUYIPGOQUCFIR-UHFFFAOYSA-N
XLogP0.84
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-carbamoylphenyl) hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-carbamoylphenyl) (2S)-2-aminopropanoate
CID 174745717
(2-carbamoylphenyl) 4-phenylbenzoate
CID 139568532
(2-carbamoylphenoxy)carbamic acid
CID 174929401
(2-carbamoylphenyl) acetate;2-hydroxybenzoic acid
CID 6453966
(2-carbamoylphenyl) 3-phenylprop-2-enoate
CID 142713579
prop-2-enyl 2-carboxyoxybenzoate
CID 68885826
bis(2-carbamoylphenyl) propanedioate;but-2-ene
CID 162215150
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
2-[(2-methylpropan-2-yl)oxy]benzamide
CID 23204949
2-(2,2-dichloroethenoxy)benzamide
CID 141007549
2-benzamidooxybenzamide
CID 141083908
benzene-1,2-dicarboxamide;hydrazine
CID 158131121

Frequently Asked Questions

What is the IUPAC name of (2-carbamoylphenyl) hydrogen carbonate?
The IUPAC name of (2-carbamoylphenyl) hydrogen carbonate (CID 91199327) is (2-carbamoylphenyl) hydrogen carbonate.
What is the SMILES notation for (2-carbamoylphenyl) hydrogen carbonate?
The canonical SMILES for (2-carbamoylphenyl) hydrogen carbonate is NC(=O)c1ccccc1OC(=O)O.
What is the InChIKey of (2-carbamoylphenyl) hydrogen carbonate?
The InChIKey is HWUYIPGOQUCFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4/c9-7(10)5-3-1-2-4-6(5)13-8(11)12/h1-4H,(H2,9,10)(H,11,12).
What are the key properties of (2-carbamoylphenyl) hydrogen carbonate?
(2-carbamoylphenyl) hydrogen carbonate has a molecular weight of 181.15 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoylphenyl) hydrogen carbonate is sourced from PubChem (CID 91199327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).