2-[bis(2-aminoethyl)amino]acetic acid

C6H15N3O2 — CID 15523358

IUPAC2-[bis(2-aminoethyl)amino]acetic acid
SMILESNCCN(CCN)CC(=O)O
InChIInChI=1S/C6H15N3O2/c7-1-3-9(4-2-8)5-6(10)11/h1-5,7-8H2,(H,10,11)
InChIKeyBKQYOENNVQBCNE-UHFFFAOYSA-N
MW161.20 g/mol
LogP-1.71
Rot. Bonds6

About 2-[bis(2-aminoethyl)amino]acetic acid

2-[bis(2-aminoethyl)amino]acetic acid (PubChem CID 15523358) has the molecular formula C6H15N3O2 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-[bis(2-aminoethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[bis(2-aminoethyl)amino]acetic acid
PubChem CID15523358
Molecular FormulaC6H15N3O2
Molecular Weight161.20 g/mol
Exact Mass161.12
IUPAC Name2-[bis(2-aminoethyl)amino]acetic acid
SMILESNCCN(CCN)CC(=O)O
InChIInChI=1S/C6H15N3O2/c7-1-3-9(4-2-8)5-6(10)11/h1-5,7-8H2,(H,10,11)
InChIKeyBKQYOENNVQBCNE-UHFFFAOYSA-N
XLogP-1.71
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-aminoethyl)amino]acetic acid;hydrochloride
CID 86150620
2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425136
2-[2-aminoethyl(ethyl)amino]acetic acid
CID 22667567
2-[bis(3-aminopropyl)amino]acetic acid
CID 15799499
2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid
CID 59561248
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)
CID 6396686
Ca-DTPA
CID 86735184
Pentasodium (carboxymethylimino)bis(ethylene-nitrilo)tetraacetic acid
CID 131710950
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281
2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;platinum(4+)
CID 73213829

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-aminoethyl)amino]acetic acid?
The IUPAC name of 2-[bis(2-aminoethyl)amino]acetic acid (CID 15523358) is 2-[bis(2-aminoethyl)amino]acetic acid.
What is the SMILES notation for 2-[bis(2-aminoethyl)amino]acetic acid?
The canonical SMILES for 2-[bis(2-aminoethyl)amino]acetic acid is NCCN(CCN)CC(=O)O.
What is the InChIKey of 2-[bis(2-aminoethyl)amino]acetic acid?
The InChIKey is BKQYOENNVQBCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2/c7-1-3-9(4-2-8)5-6(10)11/h1-5,7-8H2,(H,10,11).
What are the key properties of 2-[bis(2-aminoethyl)amino]acetic acid?
2-[bis(2-aminoethyl)amino]acetic acid has a molecular weight of 161.20 g/mol, XLogP of -1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-aminoethyl)amino]acetic acid is sourced from PubChem (CID 15523358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).