4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid

C9H8Cl2N2O3 — CID 82830709

IUPAC4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid
SMILESNCC(=O)Nc1c(Cl)cc(C(=O)O)cc1Cl
InChIInChI=1S/C9H8Cl2N2O3/c10-5-1-4(9(15)16)2-6(11)8(5)13-7(14)3-12/h1-2H,3,12H2,(H,13,14)(H,15,16)
InChIKeyGYROBXUVERLDFE-UHFFFAOYSA-N
MW263.08 g/mol
LogP1.59
Rot. Bonds3

About 4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid

4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid (PubChem CID 82830709) has the molecular formula C9H8Cl2N2O3 and a molecular weight of 263.08 g/mol. Its IUPAC name is 4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid.

Molecular Properties

Compound Name4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid
PubChem CID82830709
Molecular FormulaC9H8Cl2N2O3
Molecular Weight263.08 g/mol
Exact Mass261.99
IUPAC Name4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid
SMILESNCC(=O)Nc1c(Cl)cc(C(=O)O)cc1Cl
InChIInChI=1S/C9H8Cl2N2O3/c10-5-1-4(9(15)16)2-6(11)8(5)13-7(14)3-12/h1-2H,3,12H2,(H,13,14)(H,15,16)
InChIKeyGYROBXUVERLDFE-UHFFFAOYSA-N
XLogP1.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid
CID 82830278
4-(7-aminoheptanoylamino)-3,5-dichlorobenzoic acid
CID 82812561
3,5-dichloro-4-[(2-methoxyacetyl)amino]benzoic acid
CID 82831221
3,5-dichloro-4-(4,4,4-trifluorobutanoylamino)benzoic acid
CID 82830697
3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid
CID 82830861
4-(3-acetamidopropanoylamino)-3,5-dichlorobenzoic acid
CID 82830625
4-[[(2R)-2-aminopropanoyl]amino]-3,5-dichlorobenzoic acid
CID 82830134
3,5-dichloro-4-[3-(cyclopropylamino)propanoylamino]benzoic acid
CID 82830785
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3,5-dichlorobenzoic acid
CID 82812564
4-[[1-(aminomethyl)cyclobutanecarbonyl]amino]-3,5-dichlorobenzoic acid
CID 82830276
4-(2-aminobutanoylamino)-3,5-dichlorobenzoic acid
CID 82831163
3,5-dichloro-4-[(2-piperidin-4-ylacetyl)amino]benzoic acid
CID 82812101

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid?
The IUPAC name of 4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid (CID 82830709) is 4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid.
What is the SMILES notation for 4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid?
The canonical SMILES for 4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid is NCC(=O)Nc1c(Cl)cc(C(=O)O)cc1Cl.
What is the InChIKey of 4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid?
The InChIKey is GYROBXUVERLDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O3/c10-5-1-4(9(15)16)2-6(11)8(5)13-7(14)3-12/h1-2H,3,12H2,(H,13,14)(H,15,16).
What are the key properties of 4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid?
4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid has a molecular weight of 263.08 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid is sourced from PubChem (CID 82830709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).