2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid

C12H14N2O6 — CID 61301287

IUPAC2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
SMILESCOC(=O)CCNC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C12H14N2O6/c1-20-10(16)4-5-13-12(19)14-7-2-3-8(11(17)18)9(15)6-7/h2-3,6,15H,4-5H2,1H3,(H,17,18)(H2,13,14,19)
InChIKeyGNCYNGQKGNRCFB-UHFFFAOYSA-N
MW282.25 g/mol
LogP0.77
Rot. Bonds5

About 2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid

2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid (PubChem CID 61301287) has the molecular formula C12H14N2O6 and a molecular weight of 282.25 g/mol. Its IUPAC name is 2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
PubChem CID61301287
Molecular FormulaC12H14N2O6
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
SMILESCOC(=O)CCNC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C12H14N2O6/c1-20-10(16)4-5-13-12(19)14-7-2-3-8(11(17)18)9(15)6-7/h2-3,6,15H,4-5H2,1H3,(H,17,18)(H2,13,14,19)
InChIKeyGNCYNGQKGNRCFB-UHFFFAOYSA-N
XLogP0.77
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
CID 61301290
4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid
CID 61203198
2-hydroxy-4-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]benzoic acid
CID 114469316
4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid
CID 86051660
2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid
CID 61202066
4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid
CID 62635322
methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate
CID 3810392
4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid
CID 61181096
methyl 3-[(4-bromophenyl)carbamoylamino]propanoate
CID 47361141
methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
CID 3440134
2-fluoro-4-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 114002321
2-hydroxy-5-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid
CID 108808740

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid (CID 61301287) is 2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid is COC(=O)CCNC(=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid?
The InChIKey is GNCYNGQKGNRCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O6/c1-20-10(16)4-5-13-12(19)14-7-2-3-8(11(17)18)9(15)6-7/h2-3,6,15H,4-5H2,1H3,(H,17,18)(H2,13,14,19).
What are the key properties of 2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid?
2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid has a molecular weight of 282.25 g/mol, XLogP of 0.77, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 61301287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).