2-[2-[(2-aminoacetyl)amino]acetyl]terephthalic acid

C12H12N2O6 — CID 69177261

IUPAC2-[2-[(2-aminoacetyl)amino]acetyl]terephthalic acid
SMILESNCC(=O)NCC(=O)c1cc(C(=O)O)ccc1C(=O)O
InChIInChI=1S/C12H12N2O6/c13-4-10(16)14-5-9(15)8-3-6(11(17)18)1-2-7(8)12(19)20/h1-3H,4-5,13H2,(H,14,16)(H,17,18)(H,19,20)
InChIKeyLHCZSULKFIZPIK-UHFFFAOYSA-N
MW280.24 g/mol
LogP-0.66
Rot. Bonds6

About 2-[2-[(2-aminoacetyl)amino]acetyl]terephthalic acid

2-[2-[(2-aminoacetyl)amino]acetyl]terephthalic acid (PubChem CID 69177261) has the molecular formula C12H12N2O6 and a molecular weight of 280.24 g/mol. Its IUPAC name is 2-[2-[(2-aminoacetyl)amino]acetyl]terephthalic acid.

Molecular Properties

Compound Name2-[2-[(2-aminoacetyl)amino]acetyl]terephthalic acid
PubChem CID69177261
Molecular FormulaC12H12N2O6
Molecular Weight280.24 g/mol
Exact Mass280.07
IUPAC Name2-[2-[(2-aminoacetyl)amino]acetyl]terephthalic acid
SMILESNCC(=O)NCC(=O)c1cc(C(=O)O)ccc1C(=O)O
InChIInChI=1S/C12H12N2O6/c13-4-10(16)14-5-9(15)8-3-6(11(17)18)1-2-7(8)12(19)20/h1-3H,4-5,13H2,(H,14,16)(H,17,18)(H,19,20)
InChIKeyLHCZSULKFIZPIK-UHFFFAOYSA-N
XLogP-0.66
TPSA146.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbenzoic acid
CID 60851394
benzene-1,2,4-tricarboxylic acid;dihydrate
CID 70292833
benzene-1,2,4-tricarboxylic acid;bis(ethane-1,2-diol)
CID 19102454
2-amino-N-[2-(2-aminophenyl)-2-oxoethyl]acetamide
CID 21125527
4-[[(2-aminoacetyl)amino]methyl]benzoic acid
CID 25270511
1-[2-[(2-aminoacetyl)amino]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61162245
benzene-1,2,4-tricarboxylic acid;butanedioic acid;hexanedioic acid
CID 70425971
4-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3,5-dichlorobenzoic acid
CID 82830278
2-[bis(2-hydroxyethyl)carbamoyl]terephthalic acid
CID 177290800
4-(2-carboxybenzoyl)benzene-1,3-dicarboxylic acid
CID 143439046
sodium 2,4-dicarboxyphenolate
CID 159837316
tris(2-aminoterephthalic acid);iron
CID 146020005

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-aminoacetyl)amino]acetyl]terephthalic acid?
The IUPAC name of 2-[2-[(2-aminoacetyl)amino]acetyl]terephthalic acid (CID 69177261) is 2-[2-[(2-aminoacetyl)amino]acetyl]terephthalic acid.
What is the SMILES notation for 2-[2-[(2-aminoacetyl)amino]acetyl]terephthalic acid?
The canonical SMILES for 2-[2-[(2-aminoacetyl)amino]acetyl]terephthalic acid is NCC(=O)NCC(=O)c1cc(C(=O)O)ccc1C(=O)O.
What is the InChIKey of 2-[2-[(2-aminoacetyl)amino]acetyl]terephthalic acid?
The InChIKey is LHCZSULKFIZPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O6/c13-4-10(16)14-5-9(15)8-3-6(11(17)18)1-2-7(8)12(19)20/h1-3H,4-5,13H2,(H,14,16)(H,17,18)(H,19,20).
What are the key properties of 2-[2-[(2-aminoacetyl)amino]acetyl]terephthalic acid?
2-[2-[(2-aminoacetyl)amino]acetyl]terephthalic acid has a molecular weight of 280.24 g/mol, XLogP of -0.66, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-aminoacetyl)amino]acetyl]terephthalic acid is sourced from PubChem (CID 69177261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).