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

C14H23N3O10 — CID 3053

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IUPAC2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)
InChIKeyQPCDCPDFJACHGM-UHFFFAOYSA-N
MW393.35 g/mol
LogP-2.68
Rot. Bonds16

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

2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid (PubChem CID 3053) has the molecular formula C14H23N3O10 and a molecular weight of 393.35 g/mol. Its IUPAC name is 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
PubChem CID3053
Molecular FormulaC14H23N3O10
Molecular Weight393.35 g/mol
Exact Mass393.14
IUPAC Name2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
SMILESO=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
InChIInChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)
InChIKeyQPCDCPDFJACHGM-UHFFFAOYSA-N
XLogP-2.68
TPSA196.22 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 5-2.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

Ethylenediaminetetraacetic Acid
CID 6049
Edetate Calcium Disodium Anhydrous
CID 6093170
Edetate Disodium
CID 636371
Edetate Sodium
CID 6144
Sodium Feredetate
CID 27461
EDTA disodium salt
CID 8759
Pentetate Zinc Trisodium
CID 164209
Hydroxyethylethylenediaminetriacetic acid
CID 8773
Pentetate Calcium Trisodium
CID 25513
Disodium ethylenediaminetetraacetate
CID 9839867
EDTA Na2
CID 9902403
Ethylenediaminetetraacetic acid disodium salt
CID 13020083

Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid (CID 3053) is 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid is O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid?
The InChIKey is QPCDCPDFJACHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27).
What are the key properties of 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid?
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid has a molecular weight of 393.35 g/mol, XLogP of -2.68, 16 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid is sourced from PubChem (CID 3053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).