methyl 3-[bis(2-aminopropyl)amino]propanoate

C10H23N3O2 — CID 90207605

IUPACmethyl 3-[bis(2-aminopropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)N)CC(C)N
InChIInChI=1S/C10H23N3O2/c1-8(11)6-13(7-9(2)12)5-4-10(14)15-3/h8-9H,4-7,11-12H2,1-3H3
InChIKeyZTUQUWRNYDQVJZ-UHFFFAOYSA-N
MW217.31 g/mol
LogP-0.45
Rot. Bonds7

About methyl 3-[bis(2-aminopropyl)amino]propanoate

methyl 3-[bis(2-aminopropyl)amino]propanoate (PubChem CID 90207605) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is methyl 3-[bis(2-aminopropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[bis(2-aminopropyl)amino]propanoate
PubChem CID90207605
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Namemethyl 3-[bis(2-aminopropyl)amino]propanoate
SMILESCOC(=O)CCN(CC(C)N)CC(C)N
InChIInChI=1S/C10H23N3O2/c1-8(11)6-13(7-9(2)12)5-4-10(14)15-3/h8-9H,4-7,11-12H2,1-3H3
InChIKeyZTUQUWRNYDQVJZ-UHFFFAOYSA-N
XLogP-0.45
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[bis(2-aminopropyl)amino]propanoate?
The IUPAC name of methyl 3-[bis(2-aminopropyl)amino]propanoate (CID 90207605) is methyl 3-[bis(2-aminopropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[bis(2-aminopropyl)amino]propanoate?
The canonical SMILES for methyl 3-[bis(2-aminopropyl)amino]propanoate is COC(=O)CCN(CC(C)N)CC(C)N.
What is the InChIKey of methyl 3-[bis(2-aminopropyl)amino]propanoate?
The InChIKey is ZTUQUWRNYDQVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-8(11)6-13(7-9(2)12)5-4-10(14)15-3/h8-9H,4-7,11-12H2,1-3H3.
What are the key properties of methyl 3-[bis(2-aminopropyl)amino]propanoate?
methyl 3-[bis(2-aminopropyl)amino]propanoate has a molecular weight of 217.31 g/mol, XLogP of -0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[bis(2-aminopropyl)amino]propanoate is sourced from PubChem (CID 90207605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).