4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid

C10H10N2O6 — CID 86051660

IUPAC4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid
SMILESO=C(O)CNC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C10H10N2O6/c13-7-3-5(1-2-6(7)9(16)17)12-10(18)11-4-8(14)15/h1-3,13H,4H2,(H,14,15)(H,16,17)(H2,11,12,18)
InChIKeyANJMHZPXZSSLJX-UHFFFAOYSA-N
MW254.20 g/mol
LogP0.30
Rot. Bonds4

About 4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid

4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid (PubChem CID 86051660) has the molecular formula C10H10N2O6 and a molecular weight of 254.20 g/mol. Its IUPAC name is 4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid
PubChem CID86051660
Molecular FormulaC10H10N2O6
Molecular Weight254.20 g/mol
Exact Mass254.05
IUPAC Name4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid
SMILESO=C(O)CNC(=O)Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C10H10N2O6/c13-7-3-5(1-2-6(7)9(16)17)12-10(18)11-4-8(14)15/h1-3,13H,4H2,(H,14,15)(H,16,17)(H2,11,12,18)
InChIKeyANJMHZPXZSSLJX-UHFFFAOYSA-N
XLogP0.30
TPSA135.96 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 50.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-acetamidoethylcarbamoylamino)-2-hydroxybenzoic acid
CID 61203198
4-(cyclopropylmethylcarbamoylamino)-2-hydroxybenzoic acid
CID 61181096
2-hydroxy-4-(2-sulfamoylethylcarbamoylamino)benzoic acid
CID 61202066
2-hydroxy-4-[(3-methoxy-3-oxopropyl)carbamoylamino]benzoic acid
CID 61301287
4-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybenzoic acid
CID 62635322
2-hydroxy-4-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]benzoic acid
CID 114469316
2-hydroxy-4-(oxolan-2-ylmethylcarbamoylamino)benzoic acid
CID 61191613
4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
CID 43358320
2-hydroxy-4-(pentan-2-ylcarbamoylamino)benzoic acid
CID 61183092
2-[(4-iodophenyl)carbamoylamino]acetic acid
CID 43445581
2-hydroxy-4-[(2-iodophenyl)carbamoylamino]benzoic acid
CID 61186270
4-(dodecylcarbamothioylamino)-2-hydroxybenzoic acid
CID 139668363

Frequently Asked Questions

What is the IUPAC name of 4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid?
The IUPAC name of 4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid (CID 86051660) is 4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid is O=C(O)CNC(=O)Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid?
The InChIKey is ANJMHZPXZSSLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O6/c13-7-3-5(1-2-6(7)9(16)17)12-10(18)11-4-8(14)15/h1-3,13H,4H2,(H,14,15)(H,16,17)(H2,11,12,18).
What are the key properties of 4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid?
4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid has a molecular weight of 254.20 g/mol, XLogP of 0.30, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carboxymethylcarbamoylamino)-2-hydroxybenzoic acid is sourced from PubChem (CID 86051660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).