5-[(2-amino-2-oxoethyl)carbamoylamino]benzene-1,3-dicarboxylic acid

C11H11N3O6 — CID 61187988

IUPAC5-[(2-amino-2-oxoethyl)carbamoylamino]benzene-1,3-dicarboxylic acid
SMILESNC(=O)CNC(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C11H11N3O6/c12-8(15)4-13-11(20)14-7-2-5(9(16)17)1-6(3-7)10(18)19/h1-3H,4H2,(H2,12,15)(H,16,17)(H,18,19)(H2,13,14,20)
InChIKeySRLUMZGKQSCMRB-UHFFFAOYSA-N
MW281.22 g/mol
LogP-0.31
Rot. Bonds5

About 5-[(2-amino-2-oxoethyl)carbamoylamino]benzene-1,3-dicarboxylic acid

5-[(2-amino-2-oxoethyl)carbamoylamino]benzene-1,3-dicarboxylic acid (PubChem CID 61187988) has the molecular formula C11H11N3O6 and a molecular weight of 281.22 g/mol. Its IUPAC name is 5-[(2-amino-2-oxoethyl)carbamoylamino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[(2-amino-2-oxoethyl)carbamoylamino]benzene-1,3-dicarboxylic acid
PubChem CID61187988
Molecular FormulaC11H11N3O6
Molecular Weight281.22 g/mol
Exact Mass281.06
IUPAC Name5-[(2-amino-2-oxoethyl)carbamoylamino]benzene-1,3-dicarboxylic acid
SMILESNC(=O)CNC(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1
InChIInChI=1S/C11H11N3O6/c12-8(15)4-13-11(20)14-7-2-5(9(16)17)1-6(3-7)10(18)19/h1-3H,4H2,(H2,12,15)(H,16,17)(H,18,19)(H2,13,14,20)
InChIKeySRLUMZGKQSCMRB-UHFFFAOYSA-N
XLogP-0.31
TPSA158.82 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

5-(prop-2-enylcarbamoylamino)benzene-1,3-dicarboxylic acid
CID 61193523
5-(cyclopropylmethylcarbamoylamino)benzene-1,3-dicarboxylic acid
CID 61183183
5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid
CID 61187824
5-(octadecylcarbamoylamino)benzene-1,3-dicarboxylic acid
CID 58559835
5-(carboxyamino)benzene-1,3-dicarboxylic acid
CID 18974712
3-methoxycarbonyl-5-(propylcarbamoylamino)benzoic acid
CID 163995662
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
2-[(4-phenoxyphenyl)carbamoylamino]acetamide
CID 54573281
N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide
CID 141029979
2-[(3-ethylphenyl)carbamoylamino]acetamide
CID 144801383
2-(1H-pyrazol-4-ylcarbamoylamino)acetamide
CID 130682682
3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-5-bromobenzoic acid
CID 106097988

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-oxoethyl)carbamoylamino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[(2-amino-2-oxoethyl)carbamoylamino]benzene-1,3-dicarboxylic acid (CID 61187988) is 5-[(2-amino-2-oxoethyl)carbamoylamino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[(2-amino-2-oxoethyl)carbamoylamino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[(2-amino-2-oxoethyl)carbamoylamino]benzene-1,3-dicarboxylic acid is NC(=O)CNC(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1.
What is the InChIKey of 5-[(2-amino-2-oxoethyl)carbamoylamino]benzene-1,3-dicarboxylic acid?
The InChIKey is SRLUMZGKQSCMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O6/c12-8(15)4-13-11(20)14-7-2-5(9(16)17)1-6(3-7)10(18)19/h1-3H,4H2,(H2,12,15)(H,16,17)(H,18,19)(H2,13,14,20).
What are the key properties of 5-[(2-amino-2-oxoethyl)carbamoylamino]benzene-1,3-dicarboxylic acid?
5-[(2-amino-2-oxoethyl)carbamoylamino]benzene-1,3-dicarboxylic acid has a molecular weight of 281.22 g/mol, XLogP of -0.31, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-oxoethyl)carbamoylamino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 61187988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).