3-(methylcarbamoylamino)naphthalene-2-carboxylic acid

C13H12N2O3 — CID 61189207

IUPAC3-(methylcarbamoylamino)naphthalene-2-carboxylic acid
SMILESCNC(=O)Nc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C13H12N2O3/c1-14-13(18)15-11-7-9-5-3-2-4-8(9)6-10(11)12(16)17/h2-7H,1H3,(H,16,17)(H2,14,15,18)
InChIKeyIZAWMAHKZVBSBZ-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.29
Rot. Bonds2

About 3-(methylcarbamoylamino)naphthalene-2-carboxylic acid

3-(methylcarbamoylamino)naphthalene-2-carboxylic acid (PubChem CID 61189207) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-(methylcarbamoylamino)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-(methylcarbamoylamino)naphthalene-2-carboxylic acid
PubChem CID61189207
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name3-(methylcarbamoylamino)naphthalene-2-carboxylic acid
SMILESCNC(=O)Nc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C13H12N2O3/c1-14-13(18)15-11-7-9-5-3-2-4-8(9)6-10(11)12(16)17/h2-7H,1H3,(H,16,17)(H2,14,15,18)
InChIKeyIZAWMAHKZVBSBZ-UHFFFAOYSA-N
XLogP2.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydrazinylnaphthalene-2-carboxylic acid
CID 4738853
3-[(4-methylbenzoyl)amino]naphthalene-2-carboxylic acid
CID 16773490
3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid
CID 16777345
3-[(2-acetamidoacetyl)amino]naphthalene-2-carboxylic acid
CID 24702381
5-iodo-2-(methylcarbamoylamino)benzoic acid
CID 63111629
3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]naphthalene-2-carboxylic acid
CID 99644527
3-[(2-propan-2-ylsulfanylacetyl)amino]naphthalene-2-carboxylic acid
CID 43170984
3-[[methyl(propyl)carbamoyl]amino]naphthalene-2-carboxylic acid
CID 61195692
1-[3-(methylamino)naphthalen-2-yl]ethanone
CID 58772657
1-methyl-3-naphthalen-2-ylurea
CID 3454681
3-(tert-butylsulfonylamino)naphthalene-2-carboxylic acid
CID 63688592
2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
CID 22268814

Frequently Asked Questions

What is the IUPAC name of 3-(methylcarbamoylamino)naphthalene-2-carboxylic acid?
The IUPAC name of 3-(methylcarbamoylamino)naphthalene-2-carboxylic acid (CID 61189207) is 3-(methylcarbamoylamino)naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-(methylcarbamoylamino)naphthalene-2-carboxylic acid?
The canonical SMILES for 3-(methylcarbamoylamino)naphthalene-2-carboxylic acid is CNC(=O)Nc1cc2ccccc2cc1C(=O)O.
What is the InChIKey of 3-(methylcarbamoylamino)naphthalene-2-carboxylic acid?
The InChIKey is IZAWMAHKZVBSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-14-13(18)15-11-7-9-5-3-2-4-8(9)6-10(11)12(16)17/h2-7H,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-(methylcarbamoylamino)naphthalene-2-carboxylic acid?
3-(methylcarbamoylamino)naphthalene-2-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 2.29, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylcarbamoylamino)naphthalene-2-carboxylic acid is sourced from PubChem (CID 61189207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).