2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]butanedioic acid

C12H18N2O10 — CID 21458914

IUPAC2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]butanedioic acid
SMILESO=C(O)CC(C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C12H18N2O10/c15-8(16)3-7(12(23)24)14(6-11(21)22)2-1-13(4-9(17)18)5-10(19)20/h7H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyKVNHXLUIZLCSHE-UHFFFAOYSA-N
MW350.28 g/mol
LogP-2.23
Rot. Bonds13

About 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]butanedioic acid

2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]butanedioic acid (PubChem CID 21458914) has the molecular formula C12H18N2O10 and a molecular weight of 350.28 g/mol. Its IUPAC name is 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]butanedioic acid.

Molecular Properties

Compound Name2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]butanedioic acid
PubChem CID21458914
Molecular FormulaC12H18N2O10
Molecular Weight350.28 g/mol
Exact Mass350.10
IUPAC Name2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]butanedioic acid
SMILESO=C(O)CC(C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C12H18N2O10/c15-8(16)3-7(12(23)24)14(6-11(21)22)2-1-13(4-9(17)18)5-10(19)20/h7H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKeyKVNHXLUIZLCSHE-UHFFFAOYSA-N
XLogP-2.23
TPSA192.98 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 5-2.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[2-[bis(carboxymethyl)amino]ethylamino]ethyl-(carboxymethyl)amino]butanedioic acid
CID 173131186
(2S)-6-amino-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]hexanoic acid
CID 90249102
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-3-phenylpropanoic acid
CID 20717319
3-(4-aminophenyl)-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]propanoic acid
CID 14581799
CID 131881711
CID 131881711
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;palladium
CID 87646403
azane;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrogen peroxide
CID 118382822
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;chromium(2+)
CID 21278558
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;yttrium(3+)
CID 23618997
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598
2-[2-[2-[1-carboxyethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]propanoic acid
CID 19033802
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-3-phenylpropanoic acid
CID 51032861

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]butanedioic acid?
The IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]butanedioic acid (CID 21458914) is 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]butanedioic acid.
What is the SMILES notation for 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]butanedioic acid?
The canonical SMILES for 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]butanedioic acid is O=C(O)CC(C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]butanedioic acid?
The InChIKey is KVNHXLUIZLCSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O10/c15-8(16)3-7(12(23)24)14(6-11(21)22)2-1-13(4-9(17)18)5-10(19)20/h7H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24).
What are the key properties of 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]butanedioic acid?
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]butanedioic acid has a molecular weight of 350.28 g/mol, XLogP of -2.23, 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]butanedioic acid is sourced from PubChem (CID 21458914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).