2-hydroxy-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid

C11H13N3O5 — CID 113458472

IUPAC2-hydroxy-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid
SMILESCNC(=O)CNC(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C11H13N3O5/c1-12-8(15)5-13-11(19)14-7-4-2-3-6(9(7)16)10(17)18/h2-4,16H,5H2,1H3,(H,12,15)(H,17,18)(H2,13,14,19)
InChIKeyVMGBBMPHVXMUGN-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.04
Rot. Bonds4

About 2-hydroxy-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid

2-hydroxy-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid (PubChem CID 113458472) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-hydroxy-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid
PubChem CID113458472
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-hydroxy-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid
SMILESCNC(=O)CNC(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C11H13N3O5/c1-12-8(15)5-13-11(19)14-7-4-2-3-6(9(7)16)10(17)18/h2-4,16H,5H2,1H3,(H,12,15)(H,17,18)(H2,13,14,19)
InChIKeyVMGBBMPHVXMUGN-UHFFFAOYSA-N
XLogP-0.04
TPSA127.76 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(benzylcarbamoylamino)-2-hydroxybenzoic acid
CID 104833448
3-(2-aminoethylcarbamoylamino)-2-hydroxybenzoic acid
CID 104833565
2-chloro-6-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid
CID 63723631
3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
CID 104832910
3-(butan-2-ylcarbamoylamino)-2-hydroxybenzoic acid
CID 104833436
3-[(5-amino-5-oxopentyl)carbamoylamino]-2-hydroxybenzoic acid
CID 106239093
2-hydroxy-3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]benzoic acid
CID 104833703
2-hydroxy-3-(4-methylpentan-2-ylcarbamoylamino)benzoic acid
CID 104833506
3-(2-but-3-enoxyethylcarbamoylamino)-2-hydroxybenzoic acid
CID 106405133
3-(2-acetamidopropanoylamino)-2-hydroxybenzoic acid
CID 113458409
2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 61181463
2-hydroxy-3-(nonanoylamino)benzoic acid
CID 104832987

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid?
The IUPAC name of 2-hydroxy-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid (CID 113458472) is 2-hydroxy-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid is CNC(=O)CNC(=O)Nc1cccc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid?
The InChIKey is VMGBBMPHVXMUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c1-12-8(15)5-13-11(19)14-7-4-2-3-6(9(7)16)10(17)18/h2-4,16H,5H2,1H3,(H,12,15)(H,17,18)(H2,13,14,19).
What are the key properties of 2-hydroxy-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid?
2-hydroxy-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid has a molecular weight of 267.24 g/mol, XLogP of -0.04, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]benzoic acid is sourced from PubChem (CID 113458472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).