3-[[(2R)-2-(2-aminoethylamino)propyl]amino]propanoic acid

C8H19N3O2 — CID 129095385

IUPAC3-[[(2R)-2-(2-aminoethylamino)propyl]amino]propanoic acid
SMILESC[C@H](CNCCC(=O)O)NCCN
InChIInChI=1S/C8H19N3O2/c1-7(11-5-3-9)6-10-4-2-8(12)13/h7,10-11H,2-6,9H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyVPCOBBYFRQPCBC-SSDOTTSWSA-N
MW189.26 g/mol
LogP-1.01
Rot. Bonds8

About 3-[[(2R)-2-(2-aminoethylamino)propyl]amino]propanoic acid

3-[[(2R)-2-(2-aminoethylamino)propyl]amino]propanoic acid (PubChem CID 129095385) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-[[(2R)-2-(2-aminoethylamino)propyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(2R)-2-(2-aminoethylamino)propyl]amino]propanoic acid
PubChem CID129095385
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name3-[[(2R)-2-(2-aminoethylamino)propyl]amino]propanoic acid
SMILESC[C@H](CNCCC(=O)O)NCCN
InChIInChI=1S/C8H19N3O2/c1-7(11-5-3-9)6-10-4-2-8(12)13/h7,10-11H,2-6,9H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyVPCOBBYFRQPCBC-SSDOTTSWSA-N
XLogP-1.01
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-(2-aminoethylamino)propyl]amino]propanoic acid?
The IUPAC name of 3-[[(2R)-2-(2-aminoethylamino)propyl]amino]propanoic acid (CID 129095385) is 3-[[(2R)-2-(2-aminoethylamino)propyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(2R)-2-(2-aminoethylamino)propyl]amino]propanoic acid?
The canonical SMILES for 3-[[(2R)-2-(2-aminoethylamino)propyl]amino]propanoic acid is C[C@H](CNCCC(=O)O)NCCN.
What is the InChIKey of 3-[[(2R)-2-(2-aminoethylamino)propyl]amino]propanoic acid?
The InChIKey is VPCOBBYFRQPCBC-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-7(11-5-3-9)6-10-4-2-8(12)13/h7,10-11H,2-6,9H2,1H3,(H,12,13)/t7-/m1/s1.
What are the key properties of 3-[[(2R)-2-(2-aminoethylamino)propyl]amino]propanoic acid?
3-[[(2R)-2-(2-aminoethylamino)propyl]amino]propanoic acid has a molecular weight of 189.26 g/mol, XLogP of -1.01, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-(2-aminoethylamino)propyl]amino]propanoic acid is sourced from PubChem (CID 129095385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).