3-[2-aminopropyl(2-carboxyethyl)amino]propanoic acid

C9H18N2O4 — CID 21426944

IUPAC3-[2-aminopropyl(2-carboxyethyl)amino]propanoic acid
SMILESCC(N)CN(CCC(=O)O)CCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-7(10)6-11(4-2-8(12)13)5-3-9(14)15/h7H,2-6,10H2,1H3,(H,12,13)(H,14,15)
InChIKeyDRAQXTZDXNIZCA-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.41
Rot. Bonds8

About 3-[2-aminopropyl(2-carboxyethyl)amino]propanoic acid

3-[2-aminopropyl(2-carboxyethyl)amino]propanoic acid (PubChem CID 21426944) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 3-[2-aminopropyl(2-carboxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-aminopropyl(2-carboxyethyl)amino]propanoic acid
PubChem CID21426944
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name3-[2-aminopropyl(2-carboxyethyl)amino]propanoic acid
SMILESCC(N)CN(CCC(=O)O)CCC(=O)O
InChIInChI=1S/C9H18N2O4/c1-7(10)6-11(4-2-8(12)13)5-3-9(14)15/h7H,2-6,10H2,1H3,(H,12,13)(H,14,15)
InChIKeyDRAQXTZDXNIZCA-UHFFFAOYSA-N
XLogP-0.41
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-aminopropyl(2-carboxyethyl)amino]propanoic acid?
The IUPAC name of 3-[2-aminopropyl(2-carboxyethyl)amino]propanoic acid (CID 21426944) is 3-[2-aminopropyl(2-carboxyethyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-aminopropyl(2-carboxyethyl)amino]propanoic acid?
The canonical SMILES for 3-[2-aminopropyl(2-carboxyethyl)amino]propanoic acid is CC(N)CN(CCC(=O)O)CCC(=O)O.
What is the InChIKey of 3-[2-aminopropyl(2-carboxyethyl)amino]propanoic acid?
The InChIKey is DRAQXTZDXNIZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-7(10)6-11(4-2-8(12)13)5-3-9(14)15/h7H,2-6,10H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-[2-aminopropyl(2-carboxyethyl)amino]propanoic acid?
3-[2-aminopropyl(2-carboxyethyl)amino]propanoic acid has a molecular weight of 218.25 g/mol, XLogP of -0.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminopropyl(2-carboxyethyl)amino]propanoic acid is sourced from PubChem (CID 21426944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).