2-(2,2-diaminoethylamino)acetic acid

C4H11N3O2 — CID 54036519

IUPAC2-(2,2-diaminoethylamino)acetic acid
SMILESNC(N)CNCC(=O)O
InChIInChI=1S/C4H11N3O2/c5-3(6)1-7-2-4(8)9/h3,7H,1-2,5-6H2,(H,8,9)
InChIKeyLJINSKIHVMGTDJ-UHFFFAOYSA-N
MW133.15 g/mol
LogP-2.10
Rot. Bonds4

About 2-(2,2-diaminoethylamino)acetic acid

2-(2,2-diaminoethylamino)acetic acid (PubChem CID 54036519) has the molecular formula C4H11N3O2 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-(2,2-diaminoethylamino)acetic acid.

Molecular Properties

Compound Name2-(2,2-diaminoethylamino)acetic acid
PubChem CID54036519
Molecular FormulaC4H11N3O2
Molecular Weight133.15 g/mol
Exact Mass133.09
IUPAC Name2-(2,2-diaminoethylamino)acetic acid
SMILESNC(N)CNCC(=O)O
InChIInChI=1S/C4H11N3O2/c5-3(6)1-7-2-4(8)9/h3,7H,1-2,5-6H2,(H,8,9)
InChIKeyLJINSKIHVMGTDJ-UHFFFAOYSA-N
XLogP-2.10
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-2.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diaminoethylamino)acetic acid?
The IUPAC name of 2-(2,2-diaminoethylamino)acetic acid (CID 54036519) is 2-(2,2-diaminoethylamino)acetic acid.
What is the SMILES notation for 2-(2,2-diaminoethylamino)acetic acid?
The canonical SMILES for 2-(2,2-diaminoethylamino)acetic acid is NC(N)CNCC(=O)O.
What is the InChIKey of 2-(2,2-diaminoethylamino)acetic acid?
The InChIKey is LJINSKIHVMGTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O2/c5-3(6)1-7-2-4(8)9/h3,7H,1-2,5-6H2,(H,8,9).
What are the key properties of 2-(2,2-diaminoethylamino)acetic acid?
2-(2,2-diaminoethylamino)acetic acid has a molecular weight of 133.15 g/mol, XLogP of -2.10, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diaminoethylamino)acetic acid is sourced from PubChem (CID 54036519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).