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

C6H16ClN3O2 — CID 86150620

IUPAC2-[bis(2-aminoethyl)amino]acetic acid;hydrochloride
SMILESCl.NCCN(CCN)CC(=O)O
InChIInChI=1S/C6H15N3O2.ClH/c7-1-3-9(4-2-8)5-6(10)11;/h1-5,7-8H2,(H,10,11);1H
InChIKeyHMMRLYNRYBVZJF-UHFFFAOYSA-N
MW197.67 g/mol
LogP-1.29
Rot. Bonds6

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

2-[bis(2-aminoethyl)amino]acetic acid;hydrochloride (PubChem CID 86150620) has the molecular formula C6H16ClN3O2 and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-[bis(2-aminoethyl)amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[bis(2-aminoethyl)amino]acetic acid;hydrochloride
PubChem CID86150620
Molecular FormulaC6H16ClN3O2
Molecular Weight197.67 g/mol
Exact Mass197.09
IUPAC Name2-[bis(2-aminoethyl)amino]acetic acid;hydrochloride
SMILESCl.NCCN(CCN)CC(=O)O
InChIInChI=1S/C6H15N3O2.ClH/c7-1-3-9(4-2-8)5-6(10)11;/h1-5,7-8H2,(H,10,11);1H
InChIKeyHMMRLYNRYBVZJF-UHFFFAOYSA-N
XLogP-1.29
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-aminoethyl)amino]acetic acid
CID 15523358
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
disodium;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(3+)
CID 139596317

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-aminoethyl)amino]acetic acid;hydrochloride?
The IUPAC name of 2-[bis(2-aminoethyl)amino]acetic acid;hydrochloride (CID 86150620) is 2-[bis(2-aminoethyl)amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[bis(2-aminoethyl)amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[bis(2-aminoethyl)amino]acetic acid;hydrochloride is Cl.NCCN(CCN)CC(=O)O.
What is the InChIKey of 2-[bis(2-aminoethyl)amino]acetic acid;hydrochloride?
The InChIKey is HMMRLYNRYBVZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2.ClH/c7-1-3-9(4-2-8)5-6(10)11;/h1-5,7-8H2,(H,10,11);1H.
What are the key properties of 2-[bis(2-aminoethyl)amino]acetic acid;hydrochloride?
2-[bis(2-aminoethyl)amino]acetic acid;hydrochloride has a molecular weight of 197.67 g/mol, XLogP of -1.29, 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;hydrochloride is sourced from PubChem (CID 86150620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).