2-amino-3-[(2-aminoacetyl)amino]propanoic acid

C5H11N3O3 — CID 14721793

IUPAC2-amino-3-[(2-aminoacetyl)amino]propanoic acid
SMILESNCC(=O)NCC(N)C(=O)O
InChIInChI=1S/C5H11N3O3/c6-1-4(9)8-2-3(7)5(10)11/h3H,1-2,6-7H2,(H,8,9)(H,10,11)
InChIKeyPXDPRTAGQLLACU-UHFFFAOYSA-N
MW161.16 g/mol
LogP-2.53
Rot. Bonds4

About 2-amino-3-[(2-aminoacetyl)amino]propanoic acid

2-amino-3-[(2-aminoacetyl)amino]propanoic acid (PubChem CID 14721793) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-amino-3-[(2-aminoacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(2-aminoacetyl)amino]propanoic acid
PubChem CID14721793
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name2-amino-3-[(2-aminoacetyl)amino]propanoic acid
SMILESNCC(=O)NCC(N)C(=O)O
InChIInChI=1S/C5H11N3O3/c6-1-4(9)8-2-3(7)5(10)11/h3H,1-2,6-7H2,(H,8,9)(H,10,11)
InChIKeyPXDPRTAGQLLACU-UHFFFAOYSA-N
XLogP-2.53
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-2.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-aminoacetyl)amino]propanoic acid?
The IUPAC name of 2-amino-3-[(2-aminoacetyl)amino]propanoic acid (CID 14721793) is 2-amino-3-[(2-aminoacetyl)amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[(2-aminoacetyl)amino]propanoic acid?
The canonical SMILES for 2-amino-3-[(2-aminoacetyl)amino]propanoic acid is NCC(=O)NCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[(2-aminoacetyl)amino]propanoic acid?
The InChIKey is PXDPRTAGQLLACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O3/c6-1-4(9)8-2-3(7)5(10)11/h3H,1-2,6-7H2,(H,8,9)(H,10,11).
What are the key properties of 2-amino-3-[(2-aminoacetyl)amino]propanoic acid?
2-amino-3-[(2-aminoacetyl)amino]propanoic acid has a molecular weight of 161.16 g/mol, XLogP of -2.53, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-aminoacetyl)amino]propanoic acid is sourced from PubChem (CID 14721793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).