2-[bis(3-aminopropyl)amino]acetic acid

C8H19N3O2 — CID 15799499

IUPAC2-[bis(3-aminopropyl)amino]acetic acid
SMILESNCCCN(CCCN)CC(=O)O
InChIInChI=1S/C8H19N3O2/c9-3-1-5-11(6-2-4-10)7-8(12)13/h1-7,9-10H2,(H,12,13)
InChIKeyIGVHXMVKIMYIRY-UHFFFAOYSA-N
MW189.26 g/mol
LogP-0.93
Rot. Bonds8

About 2-[bis(3-aminopropyl)amino]acetic acid

2-[bis(3-aminopropyl)amino]acetic acid (PubChem CID 15799499) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[bis(3-aminopropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[bis(3-aminopropyl)amino]acetic acid
PubChem CID15799499
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name2-[bis(3-aminopropyl)amino]acetic acid
SMILESNCCCN(CCCN)CC(=O)O
InChIInChI=1S/C8H19N3O2/c9-3-1-5-11(6-2-4-10)7-8(12)13/h1-7,9-10H2,(H,12,13)
InChIKeyIGVHXMVKIMYIRY-UHFFFAOYSA-N
XLogP-0.93
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid
CID 107440465
2-[bis(2-aminoethyl)amino]acetic acid
CID 15523358
2-[bis(2-aminoethyl)amino]acetic acid;hydrochloride
CID 86150620
2-[2-aminoethyl(3-trimethoxysilylpropyl)amino]acetic acid
CID 59561248
2-[2-[carboxymethyl(3-silylpropyl)amino]ethyl-(3-silylpropyl)amino]acetic acid
CID 123600488
2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425136
Pentasodium (carboxymethylimino)bis(ethylene-nitrilo)tetraacetic acid
CID 131710950
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281
Ca-DTPA
CID 86735184
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)
CID 6396686
2-[2-aminoethyl(ethyl)amino]acetic acid
CID 22667567

Frequently Asked Questions

What is the IUPAC name of 2-[bis(3-aminopropyl)amino]acetic acid?
The IUPAC name of 2-[bis(3-aminopropyl)amino]acetic acid (CID 15799499) is 2-[bis(3-aminopropyl)amino]acetic acid.
What is the SMILES notation for 2-[bis(3-aminopropyl)amino]acetic acid?
The canonical SMILES for 2-[bis(3-aminopropyl)amino]acetic acid is NCCCN(CCCN)CC(=O)O.
What is the InChIKey of 2-[bis(3-aminopropyl)amino]acetic acid?
The InChIKey is IGVHXMVKIMYIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c9-3-1-5-11(6-2-4-10)7-8(12)13/h1-7,9-10H2,(H,12,13).
What are the key properties of 2-[bis(3-aminopropyl)amino]acetic acid?
2-[bis(3-aminopropyl)amino]acetic acid has a molecular weight of 189.26 g/mol, XLogP of -0.93, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(3-aminopropyl)amino]acetic acid is sourced from PubChem (CID 15799499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).