2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2,2-dimethylbutane;3-methylbutan-1-ol;2-methylpropane

C25H52N2O9 — CID 165141264

IUPAC2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2,2-dimethylbutane;3-methylbutan-1-ol;2-methylpropane
SMILESCC(C)C.CC(C)CCO.CCC(C)(C)C.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C10H16N2O8.C6H14.C5H12O.C4H10/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;1-5-6(2,3)4;1-5(2)3-4-6;1-4(2)3/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);5H2,1-4H3;5-6H,3-4H2,1-2H3;4H,1-3H3
InChIKeyKWUCTEPSNPZIKC-UHFFFAOYSA-N
MW524.70 g/mol
LogP3.06
Rot. Bonds13

About 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2,2-dimethylbutane;3-methylbutan-1-ol;2-methylpropane

2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2,2-dimethylbutane;3-methylbutan-1-ol;2-methylpropane (PubChem CID 165141264) has the molecular formula C25H52N2O9 and a molecular weight of 524.70 g/mol. Its IUPAC name is 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2,2-dimethylbutane;3-methylbutan-1-ol;2-methylpropane.

Molecular Properties

Compound Name2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2,2-dimethylbutane;3-methylbutan-1-ol;2-methylpropane
PubChem CID165141264
Molecular FormulaC25H52N2O9
Molecular Weight524.70 g/mol
Exact Mass524.37
IUPAC Name2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2,2-dimethylbutane;3-methylbutan-1-ol;2-methylpropane
SMILESCC(C)C.CC(C)CCO.CCC(C)(C)C.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C10H16N2O8.C6H14.C5H12O.C4H10/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;1-5-6(2,3)4;1-5(2)3-4-6;1-4(2)3/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);5H2,1-4H3;5-6H,3-4H2,1-2H3;4H,1-3H3
InChIKeyKWUCTEPSNPZIKC-UHFFFAOYSA-N
XLogP3.06
TPSA175.91 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.70
LogP ≤ 53.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2,2-dimethylbutane;3-methylbutan-1-ol;2-methylpropane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2,2-dimethylbutane;3-methylbutan-1-ol;2-methylpropane?
The IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2,2-dimethylbutane;3-methylbutan-1-ol;2-methylpropane (CID 165141264) is 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2,2-dimethylbutane;3-methylbutan-1-ol;2-methylpropane.
What is the SMILES notation for 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2,2-dimethylbutane;3-methylbutan-1-ol;2-methylpropane?
The canonical SMILES for 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2,2-dimethylbutane;3-methylbutan-1-ol;2-methylpropane is CC(C)C.CC(C)CCO.CCC(C)(C)C.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2,2-dimethylbutane;3-methylbutan-1-ol;2-methylpropane?
The InChIKey is KWUCTEPSNPZIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O8.C6H14.C5H12O.C4H10/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;1-5-6(2,3)4;1-5(2)3-4-6;1-4(2)3/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);5H2,1-4H3;5-6H,3-4H2,1-2H3;4H,1-3H3.
What are the key properties of 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2,2-dimethylbutane;3-methylbutan-1-ol;2-methylpropane?
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2,2-dimethylbutane;3-methylbutan-1-ol;2-methylpropane has a molecular weight of 524.70 g/mol, XLogP of 3.06, 13 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2,2-dimethylbutane;3-methylbutan-1-ol;2-methylpropane is sourced from PubChem (CID 165141264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).