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

C11H11Cl2N3O4 — CID 82830278

IUPAC4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid
SMILESNCC(=O)NCC(=O)Nc1c(Cl)cc(C(=O)O)cc1Cl
InChIInChI=1S/C11H11Cl2N3O4/c12-6-1-5(11(19)20)2-7(13)10(6)16-9(18)4-15-8(17)3-14/h1-2H,3-4,14H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyCJJWXYBVKLNMOO-UHFFFAOYSA-N
MW320.13 g/mol
LogP0.70
Rot. Bonds5

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

4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid (PubChem CID 82830278) has the molecular formula C11H11Cl2N3O4 and a molecular weight of 320.13 g/mol. Its IUPAC name is 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid.

Molecular Properties

Compound Name4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid
PubChem CID82830278
Molecular FormulaC11H11Cl2N3O4
Molecular Weight320.13 g/mol
Exact Mass319.01
IUPAC Name4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid
SMILESNCC(=O)NCC(=O)Nc1c(Cl)cc(C(=O)O)cc1Cl
InChIInChI=1S/C11H11Cl2N3O4/c12-6-1-5(11(19)20)2-7(13)10(6)16-9(18)4-15-8(17)3-14/h1-2H,3-4,14H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyCJJWXYBVKLNMOO-UHFFFAOYSA-N
XLogP0.70
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-aminoacetyl)amino]-3,5-dichlorobenzoic acid
CID 82830709
3,5-dichloro-4-[[2-(cyclopropylamino)acetyl]amino]benzoic acid
CID 82830861
4-(7-aminoheptanoylamino)-3,5-dichlorobenzoic acid
CID 82812561
3,5-dichloro-4-(4,4,4-trifluorobutanoylamino)benzoic acid
CID 82830697
3,5-dichloro-4-[(2-methoxyacetyl)amino]benzoic acid
CID 82831221
4-(3-acetamidopropanoylamino)-3,5-dichlorobenzoic acid
CID 82830625
3,5-dichloro-4-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 82830565
4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbenzoic acid
CID 60851394
2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 54928059
2-amino-N-[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl]acetamide
CID 115564486
3,5-dichloro-4-(2,2-dimethylpropylcarbamoylamino)benzoic acid
CID 82832906
4-[[(2R)-2-aminopropanoyl]amino]-3,5-dichlorobenzoic acid
CID 82830134

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid?
The IUPAC name of 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid (CID 82830278) is 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid.
What is the SMILES notation for 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid?
The canonical SMILES for 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid is NCC(=O)NCC(=O)Nc1c(Cl)cc(C(=O)O)cc1Cl.
What is the InChIKey of 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid?
The InChIKey is CJJWXYBVKLNMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O4/c12-6-1-5(11(19)20)2-7(13)10(6)16-9(18)4-15-8(17)3-14/h1-2H,3-4,14H2,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid?
4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid has a molecular weight of 320.13 g/mol, XLogP of 0.70, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid is sourced from PubChem (CID 82830278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).