(2-methylphenyl)-oxidocarbamic acid

C8H8NO3- — CID 131721115

IUPAC(2-methylphenyl)-oxidocarbamic acid
SMILESCc1ccccc1N([O-])C(=O)O
InChIInChI=1S/C8H8NO3/c1-6-4-2-3-5-7(6)9(12)8(10)11/h2-5H,1H3,(H,10,11)/q-1
InChIKeyOSLUGMVJTRXNHZ-UHFFFAOYSA-N
MW166.16 g/mol
LogP1.98
Rot. Bonds1

About (2-methylphenyl)-oxidocarbamic acid

(2-methylphenyl)-oxidocarbamic acid (PubChem CID 131721115) has the molecular formula C8H8NO3- and a molecular weight of 166.16 g/mol. Its IUPAC name is (2-methylphenyl)-oxidocarbamic acid.

Molecular Properties

Compound Name(2-methylphenyl)-oxidocarbamic acid
PubChem CID131721115
Molecular FormulaC8H8NO3-
Molecular Weight166.16 g/mol
Exact Mass166.05
IUPAC Name(2-methylphenyl)-oxidocarbamic acid
SMILESCc1ccccc1N([O-])C(=O)O
InChIInChI=1S/C8H8NO3/c1-6-4-2-3-5-7(6)9(12)8(10)11/h2-5H,1H3,(H,10,11)/q-1
InChIKeyOSLUGMVJTRXNHZ-UHFFFAOYSA-N
XLogP1.98
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-methylphenyl)carbamate
CID 21115000
1,1-bis(2-methylphenyl)urea
CID 3049256
hexane;methyl-(2-methylphenyl)carbamic acid
CID 174980979
cyclohexyl-(2-methylphenyl)carbamic acid
CID 151470608
(4-chlorophenyl)-(2-methylphenyl)carbamic acid
CID 57361807
N-(2-methylphenyl)-N-phenylcarbamoyl chloride
CID 54268950
1-(N-benzyl-2-methylanilino)propan-2-one
CID 21318921
2-(N-carboxy-2-methylanilino)-3-methylbenzoic acid
CID 173215689
[3-(N-carboxy-2,3-dimethylanilino)-2-methylphenyl]-(2,3-dimethylphenyl)carbamic acid
CID 174980910
3-[N-[2-(dimethylamino)ethyl]-2-methylanilino]propanoic acid
CID 60839076
2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid
CID 61184616
2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid
CID 63644818

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-oxidocarbamic acid?
The IUPAC name of (2-methylphenyl)-oxidocarbamic acid (CID 131721115) is (2-methylphenyl)-oxidocarbamic acid.
What is the SMILES notation for (2-methylphenyl)-oxidocarbamic acid?
The canonical SMILES for (2-methylphenyl)-oxidocarbamic acid is Cc1ccccc1N([O-])C(=O)O.
What is the InChIKey of (2-methylphenyl)-oxidocarbamic acid?
The InChIKey is OSLUGMVJTRXNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO3/c1-6-4-2-3-5-7(6)9(12)8(10)11/h2-5H,1H3,(H,10,11)/q-1.
What are the key properties of (2-methylphenyl)-oxidocarbamic acid?
(2-methylphenyl)-oxidocarbamic acid has a molecular weight of 166.16 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-oxidocarbamic acid is sourced from PubChem (CID 131721115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).