4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid

C17H13NO8 — CID 53269765

IUPAC4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)c1ccc(C(=O)O)cc1C(=O)O
InChIInChI=1S/C17H13NO8/c1-26-13-5-3-9(16(22)23)7-12(13)18-14(19)10-4-2-8(15(20)21)6-11(10)17(24)25/h2-7H,1H3,(H,18,19)(H,20,21)(H,22,23)(H,24,25)
InChIKeyVVNMNLRMLHUXIP-UHFFFAOYSA-N
MW359.29 g/mol
LogP2.04
Rot. Bonds6

About 4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid

4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid (PubChem CID 53269765) has the molecular formula C17H13NO8 and a molecular weight of 359.29 g/mol. Its IUPAC name is 4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
PubChem CID53269765
Molecular FormulaC17H13NO8
Molecular Weight359.29 g/mol
Exact Mass359.06
IUPAC Name4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
SMILESCOc1ccc(C(=O)O)cc1NC(=O)c1ccc(C(=O)O)cc1C(=O)O
InChIInChI=1S/C17H13NO8/c1-26-13-5-3-9(16(22)23)7-12(13)18-14(19)10-4-2-8(15(20)21)6-11(10)17(24)25/h2-7H,1H3,(H,18,19)(H,20,21)(H,22,23)(H,24,25)
InChIKeyVVNMNLRMLHUXIP-UHFFFAOYSA-N
XLogP2.04
TPSA150.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 28668454
3-[(3-chloro-4-methoxybenzoyl)amino]-4-methoxybenzoic acid
CID 28673376
3-[(3-hydroxypyridine-4-carbonyl)amino]-4-methoxybenzoic acid
CID 81440136
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748
4-methoxy-3-[(6-oxopyran-3-carbonyl)amino]benzoic acid
CID 63744614
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
4-methoxy-3-(prop-2-enoylamino)benzoic acid
CID 63742238
3-[(5-chlorothiophene-2-carbonyl)amino]-4-methoxybenzoic acid
CID 63742413
3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]-4-methoxybenzoic acid
CID 28668842
3-(but-2-enoylamino)-4-methoxybenzoic acid
CID 77004878
4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 63744788
5-amino-2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 851811

Frequently Asked Questions

What is the IUPAC name of 4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid?
The IUPAC name of 4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid (CID 53269765) is 4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid is COc1ccc(C(=O)O)cc1NC(=O)c1ccc(C(=O)O)cc1C(=O)O.
What is the InChIKey of 4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid?
The InChIKey is VVNMNLRMLHUXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO8/c1-26-13-5-3-9(16(22)23)7-12(13)18-14(19)10-4-2-8(15(20)21)6-11(10)17(24)25/h2-7H,1H3,(H,18,19)(H,20,21)(H,22,23)(H,24,25).
What are the key properties of 4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid?
4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid has a molecular weight of 359.29 g/mol, XLogP of 2.04, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 53269765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).