(2-methoxyanilino)-methylcarbamic acid

C9H12N2O3 — CID 163632659

IUPAC(2-methoxyanilino)-methylcarbamic acid
SMILESCOc1ccccc1NN(C)C(=O)O
InChIInChI=1S/C9H12N2O3/c1-11(9(12)13)10-7-5-3-4-6-8(7)14-2/h3-6,10H,1-2H3,(H,12,13)
InChIKeyHXLSMGJSWJTWQY-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.63
Rot. Bonds3

About (2-methoxyanilino)-methylcarbamic acid

(2-methoxyanilino)-methylcarbamic acid (PubChem CID 163632659) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (2-methoxyanilino)-methylcarbamic acid.

Molecular Properties

Compound Name(2-methoxyanilino)-methylcarbamic acid
PubChem CID163632659
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(2-methoxyanilino)-methylcarbamic acid
SMILESCOc1ccccc1NN(C)C(=O)O
InChIInChI=1S/C9H12N2O3/c1-11(9(12)13)10-7-5-3-4-6-8(7)14-2/h3-6,10H,1-2H3,(H,12,13)
InChIKeyHXLSMGJSWJTWQY-UHFFFAOYSA-N
XLogP1.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
ethane;(2-methoxyphenyl)urea
CID 143063924
1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea
CID 31770982
1-benzyl-3-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]urea
CID 47053425
2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 42911817
3-methoxy-2-(2-methoxyanilino)butanoic acid
CID 112518310
1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea
CID 63766734
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850
N-(2-methoxyphenyl)-2,2,2-triphenylacetamide
CID 11188554
(2S)-2-(2-methoxyanilino)-3-methylbutanoic acid
CID 15383895
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 109006138
1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea
CID 63225235

Frequently Asked Questions

What is the IUPAC name of (2-methoxyanilino)-methylcarbamic acid?
The IUPAC name of (2-methoxyanilino)-methylcarbamic acid (CID 163632659) is (2-methoxyanilino)-methylcarbamic acid.
What is the SMILES notation for (2-methoxyanilino)-methylcarbamic acid?
The canonical SMILES for (2-methoxyanilino)-methylcarbamic acid is COc1ccccc1NN(C)C(=O)O.
What is the InChIKey of (2-methoxyanilino)-methylcarbamic acid?
The InChIKey is HXLSMGJSWJTWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-11(9(12)13)10-7-5-3-4-6-8(7)14-2/h3-6,10H,1-2H3,(H,12,13).
What are the key properties of (2-methoxyanilino)-methylcarbamic acid?
(2-methoxyanilino)-methylcarbamic acid has a molecular weight of 196.21 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyanilino)-methylcarbamic acid is sourced from PubChem (CID 163632659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).