azane;2-carbamoylbenzoic acid

C8H10N2O3 — CID 69229622

IUPACazane;2-carbamoylbenzoic acid
SMILESN.NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C8H7NO3.H3N/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H2,9,10)(H,11,12);1H3
InChIKeySARKQAUWTBDBIZ-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.65
Rot. Bonds2

About azane;2-carbamoylbenzoic acid

azane;2-carbamoylbenzoic acid (PubChem CID 69229622) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is azane;2-carbamoylbenzoic acid.

Molecular Properties

Compound Nameazane;2-carbamoylbenzoic acid
PubChem CID69229622
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Nameazane;2-carbamoylbenzoic acid
SMILESN.NC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C8H7NO3.H3N/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H2,9,10)(H,11,12);1H3
InChIKeySARKQAUWTBDBIZ-UHFFFAOYSA-N
XLogP0.65
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;2-carbamoylbenzoic acid?
The IUPAC name of azane;2-carbamoylbenzoic acid (CID 69229622) is azane;2-carbamoylbenzoic acid.
What is the SMILES notation for azane;2-carbamoylbenzoic acid?
The canonical SMILES for azane;2-carbamoylbenzoic acid is N.NC(=O)c1ccccc1C(=O)O.
What is the InChIKey of azane;2-carbamoylbenzoic acid?
The InChIKey is SARKQAUWTBDBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3.H3N/c9-7(10)5-3-1-2-4-6(5)8(11)12;/h1-4H,(H2,9,10)(H,11,12);1H3.
What are the key properties of azane;2-carbamoylbenzoic acid?
azane;2-carbamoylbenzoic acid has a molecular weight of 182.18 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-carbamoylbenzoic acid is sourced from PubChem (CID 69229622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).