4-(carbamoylamino)-2-methoxybenzoic acid

C9H10N2O4 — CID 107208856

IUPAC4-(carbamoylamino)-2-methoxybenzoic acid
SMILESCOc1cc(NC(N)=O)ccc1C(=O)O
InChIInChI=1S/C9H10N2O4/c1-15-7-4-5(11-9(10)14)2-3-6(7)8(12)13/h2-4H,1H3,(H,12,13)(H3,10,11,14)
InChIKeyZAJFGVDTFQLGHL-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.88
Rot. Bonds3

About 4-(carbamoylamino)-2-methoxybenzoic acid

4-(carbamoylamino)-2-methoxybenzoic acid (PubChem CID 107208856) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 4-(carbamoylamino)-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-(carbamoylamino)-2-methoxybenzoic acid
PubChem CID107208856
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name4-(carbamoylamino)-2-methoxybenzoic acid
SMILESCOc1cc(NC(N)=O)ccc1C(=O)O
InChIInChI=1S/C9H10N2O4/c1-15-7-4-5(11-9(10)14)2-3-6(7)8(12)13/h2-4H,1H3,(H,12,13)(H3,10,11,14)
InChIKeyZAJFGVDTFQLGHL-UHFFFAOYSA-N
XLogP0.88
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethoxyphenyl)urea
CID 21197430
4-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-2-methoxybenzoic acid
CID 107209399
4-[(2-amino-3,3-dimethylbutanoyl)amino]-2-methoxybenzoic acid
CID 107208073
2-methoxy-4-[(4-methylbenzoyl)amino]benzoic acid
CID 107208693
2-methoxy-4-[(2-methylsulfonylacetyl)amino]benzoic acid
CID 107208815
4-(4-aminopentanoylamino)-2-methoxybenzoic acid
CID 107208189
4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208023
4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid
CID 107208628
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-methoxybenzoic acid
CID 107208045
4-(3-aminopentanoylamino)-2-methoxybenzoic acid
CID 107208106
4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid
CID 107570971
4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208664

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-2-methoxybenzoic acid?
The IUPAC name of 4-(carbamoylamino)-2-methoxybenzoic acid (CID 107208856) is 4-(carbamoylamino)-2-methoxybenzoic acid.
What is the SMILES notation for 4-(carbamoylamino)-2-methoxybenzoic acid?
The canonical SMILES for 4-(carbamoylamino)-2-methoxybenzoic acid is COc1cc(NC(N)=O)ccc1C(=O)O.
What is the InChIKey of 4-(carbamoylamino)-2-methoxybenzoic acid?
The InChIKey is ZAJFGVDTFQLGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-15-7-4-5(11-9(10)14)2-3-6(7)8(12)13/h2-4H,1H3,(H,12,13)(H3,10,11,14).
What are the key properties of 4-(carbamoylamino)-2-methoxybenzoic acid?
4-(carbamoylamino)-2-methoxybenzoic acid has a molecular weight of 210.19 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-2-methoxybenzoic acid is sourced from PubChem (CID 107208856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).