2-(carboxymethyl)-3-(2H-tetrazol-5-yl)butane-1,2,3,4-tetracarboxylic acid

C11H12N4O10 — CID 68839575

IUPAC2-(carboxymethyl)-3-(2H-tetrazol-5-yl)butane-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)CC(CC(=O)O)(C(=O)O)C(CC(=O)O)(C(=O)O)c1nn[nH]n1
InChIInChI=1S/C11H12N4O10/c16-4(17)1-10(8(22)23,2-5(18)19)11(9(24)25,3-6(20)21)7-12-14-15-13-7/h1-3H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,12,13,14,15)
InChIKeyDDPNCVGVTBSBDD-UHFFFAOYSA-N
MW360.24 g/mol
LogP-1.98
Rot. Bonds10

About 2-(carboxymethyl)-3-(2H-tetrazol-5-yl)butane-1,2,3,4-tetracarboxylic acid

2-(carboxymethyl)-3-(2H-tetrazol-5-yl)butane-1,2,3,4-tetracarboxylic acid (PubChem CID 68839575) has the molecular formula C11H12N4O10 and a molecular weight of 360.24 g/mol. Its IUPAC name is 2-(carboxymethyl)-3-(2H-tetrazol-5-yl)butane-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name2-(carboxymethyl)-3-(2H-tetrazol-5-yl)butane-1,2,3,4-tetracarboxylic acid
PubChem CID68839575
Molecular FormulaC11H12N4O10
Molecular Weight360.24 g/mol
Exact Mass360.06
IUPAC Name2-(carboxymethyl)-3-(2H-tetrazol-5-yl)butane-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)CC(CC(=O)O)(C(=O)O)C(CC(=O)O)(C(=O)O)c1nn[nH]n1
InChIInChI=1S/C11H12N4O10/c16-4(17)1-10(8(22)23,2-5(18)19)11(9(24)25,3-6(20)21)7-12-14-15-13-7/h1-3H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,12,13,14,15)
InChIKeyDDPNCVGVTBSBDD-UHFFFAOYSA-N
XLogP-1.98
TPSA240.96 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.24
LogP ≤ 5-1.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 2-(carboxymethyl)-3-(2H-tetrazol-5-yl)butane-1,2,3,4-tetracarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-4-(2H-tetrazol-5-yl)pentan-2-one
CID 143632830
lanthanum;tris(2-(2H-tetrazol-5-yl)acetic acid)
CID 156633731
ethyl 2-methyl-2-(2H-tetrazol-5-yl)propanoate
CID 10797568
2-methyl-2-(2H-tetrazol-5-yl)pentan-3-one
CID 89112241
3-phenyl-2-propan-2-yloxy-2-(2H-tetrazol-5-yl)propanoic acid
CID 167284091
5-[difluoro(nitro)methyl]-2H-tetrazole
CID 2827682
hydron;2-(2H-tetrazol-5-yl)acetic acid
CID 174732621
iron;2-(2H-tetrazol-5-yl)acetic acid;zinc
CID 175714955
N-(2,2-difluoropropyl)-3-methyl-3-(2H-tetrazol-5-yl)butanamide
CID 167919523
5-(1,1,2,2,2-pentachloroethyl)-2H-tetrazole
CID 69385216
5-(1,1,2,2,2-pentafluoroethyl)-2H-tetrazole
CID 14591043
2,3-bis(4-hydroxyphenyl)butane-1,2,3,4-tetracarboxylic acid
CID 139878478

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethyl)-3-(2H-tetrazol-5-yl)butane-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 2-(carboxymethyl)-3-(2H-tetrazol-5-yl)butane-1,2,3,4-tetracarboxylic acid (CID 68839575) is 2-(carboxymethyl)-3-(2H-tetrazol-5-yl)butane-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 2-(carboxymethyl)-3-(2H-tetrazol-5-yl)butane-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 2-(carboxymethyl)-3-(2H-tetrazol-5-yl)butane-1,2,3,4-tetracarboxylic acid is O=C(O)CC(CC(=O)O)(C(=O)O)C(CC(=O)O)(C(=O)O)c1nn[nH]n1.
What is the InChIKey of 2-(carboxymethyl)-3-(2H-tetrazol-5-yl)butane-1,2,3,4-tetracarboxylic acid?
The InChIKey is DDPNCVGVTBSBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O10/c16-4(17)1-10(8(22)23,2-5(18)19)11(9(24)25,3-6(20)21)7-12-14-15-13-7/h1-3H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,12,13,14,15).
What are the key properties of 2-(carboxymethyl)-3-(2H-tetrazol-5-yl)butane-1,2,3,4-tetracarboxylic acid?
2-(carboxymethyl)-3-(2H-tetrazol-5-yl)butane-1,2,3,4-tetracarboxylic acid has a molecular weight of 360.24 g/mol, XLogP of -1.98, 10 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethyl)-3-(2H-tetrazol-5-yl)butane-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 68839575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).