4-[[2-[acetyl(methyl)amino]acetyl]amino]-5-chloro-2-methoxybenzoic acid

C13H15ClN2O5 — CID 43614436

IUPAC4-[[2-[acetyl(methyl)amino]acetyl]amino]-5-chloro-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)CN(C)C(C)=O)c(Cl)cc1C(=O)O
InChIInChI=1S/C13H15ClN2O5/c1-7(17)16(2)6-12(18)15-10-5-11(21-3)8(13(19)20)4-9(10)14/h4-5H,6H2,1-3H3,(H,15,18)(H,19,20)
InChIKeySAIZKPKNCKGFGV-UHFFFAOYSA-N
MW314.73 g/mol
LogP1.46
Rot. Bonds5

About 4-[[2-[acetyl(methyl)amino]acetyl]amino]-5-chloro-2-methoxybenzoic acid

4-[[2-[acetyl(methyl)amino]acetyl]amino]-5-chloro-2-methoxybenzoic acid (PubChem CID 43614436) has the molecular formula C13H15ClN2O5 and a molecular weight of 314.73 g/mol. Its IUPAC name is 4-[[2-[acetyl(methyl)amino]acetyl]amino]-5-chloro-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[[2-[acetyl(methyl)amino]acetyl]amino]-5-chloro-2-methoxybenzoic acid
PubChem CID43614436
Molecular FormulaC13H15ClN2O5
Molecular Weight314.73 g/mol
Exact Mass314.07
IUPAC Name4-[[2-[acetyl(methyl)amino]acetyl]amino]-5-chloro-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)CN(C)C(C)=O)c(Cl)cc1C(=O)O
InChIInChI=1S/C13H15ClN2O5/c1-7(17)16(2)6-12(18)15-10-5-11(21-3)8(13(19)20)4-9(10)14/h4-5H,6H2,1-3H3,(H,15,18)(H,19,20)
InChIKeySAIZKPKNCKGFGV-UHFFFAOYSA-N
XLogP1.46
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(tert-butylamino)acetyl]amino]-5-chloro-2-methoxybenzoic acid
CID 79264721
5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid
CID 103018243
5-chloro-2-methoxy-4-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 79271305
5-chloro-2-methoxy-4-(2-methylprop-2-enylcarbamoylamino)benzoic acid
CID 114618222
5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 43406220
4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
2-[[2-[acetyl(methyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid
CID 43360198
4-[(3-amino-2-methoxypropanoyl)amino]-5-chloro-2-methoxybenzoic acid
CID 106112325
5-chloro-4-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]-2-methoxybenzoic acid
CID 108807047
5-chloro-4-(cyclopropylmethylcarbamoylamino)-2-methoxybenzoic acid
CID 61182662
4-[(2-amino-3-carboxypropanoyl)amino]-5-chloro-2-methoxybenzoic acid
CID 64896328
5-chloro-4-(ethylsulfonylamino)-2-methoxybenzoic acid
CID 43405044

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[acetyl(methyl)amino]acetyl]amino]-5-chloro-2-methoxybenzoic acid?
The IUPAC name of 4-[[2-[acetyl(methyl)amino]acetyl]amino]-5-chloro-2-methoxybenzoic acid (CID 43614436) is 4-[[2-[acetyl(methyl)amino]acetyl]amino]-5-chloro-2-methoxybenzoic acid.
What is the SMILES notation for 4-[[2-[acetyl(methyl)amino]acetyl]amino]-5-chloro-2-methoxybenzoic acid?
The canonical SMILES for 4-[[2-[acetyl(methyl)amino]acetyl]amino]-5-chloro-2-methoxybenzoic acid is COc1cc(NC(=O)CN(C)C(C)=O)c(Cl)cc1C(=O)O.
What is the InChIKey of 4-[[2-[acetyl(methyl)amino]acetyl]amino]-5-chloro-2-methoxybenzoic acid?
The InChIKey is SAIZKPKNCKGFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O5/c1-7(17)16(2)6-12(18)15-10-5-11(21-3)8(13(19)20)4-9(10)14/h4-5H,6H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 4-[[2-[acetyl(methyl)amino]acetyl]amino]-5-chloro-2-methoxybenzoic acid?
4-[[2-[acetyl(methyl)amino]acetyl]amino]-5-chloro-2-methoxybenzoic acid has a molecular weight of 314.73 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[acetyl(methyl)amino]acetyl]amino]-5-chloro-2-methoxybenzoic acid is sourced from PubChem (CID 43614436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).