3-[amino(carboxy)amino]propanoic acid

C4H8N2O4 — CID 123794055

IUPAC3-[amino(carboxy)amino]propanoic acid
SMILESNN(CCC(=O)O)C(=O)O
InChIInChI=1S/C4H8N2O4/c5-6(4(9)10)2-1-3(7)8/h1-2,5H2,(H,7,8)(H,9,10)
InChIKeyBBKOEAYHHIQHDF-UHFFFAOYSA-N
MW148.12 g/mol
LogP-0.69
Rot. Bonds3

About 3-[amino(carboxy)amino]propanoic acid

3-[amino(carboxy)amino]propanoic acid (PubChem CID 123794055) has the molecular formula C4H8N2O4 and a molecular weight of 148.12 g/mol. Its IUPAC name is 3-[amino(carboxy)amino]propanoic acid.

Molecular Properties

Compound Name3-[amino(carboxy)amino]propanoic acid
PubChem CID123794055
Molecular FormulaC4H8N2O4
Molecular Weight148.12 g/mol
Exact Mass148.05
IUPAC Name3-[amino(carboxy)amino]propanoic acid
SMILESNN(CCC(=O)O)C(=O)O
InChIInChI=1S/C4H8N2O4/c5-6(4(9)10)2-1-3(7)8/h1-2,5H2,(H,7,8)(H,9,10)
InChIKeyBBKOEAYHHIQHDF-UHFFFAOYSA-N
XLogP-0.69
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

amino(2-aminoethyl)carbamic acid
CID 142575644
3-[amino(methyl)amino]propanoic acid;ethane
CID 144503936
azane;butanedioic acid
CID 87070561
3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
3-[amino(3-hydroxypropyl)amino]propanoic acid
CID 123185238
3-[(3-amino-3-oxopropyl)-(2-carboxyethyl)amino]propanoic acid
CID 21115401
3-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid;ethane
CID 145349461
3-(difluoroamino)propanoic acid
CID 55299350
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
azane;butanedioic acid;dihydrate
CID 141112137
bis(butanedioic acid);hydroxylamine
CID 174855273
4-[amino(oxido)amino]butanoic acid
CID 163980196

Frequently Asked Questions

What is the IUPAC name of 3-[amino(carboxy)amino]propanoic acid?
The IUPAC name of 3-[amino(carboxy)amino]propanoic acid (CID 123794055) is 3-[amino(carboxy)amino]propanoic acid.
What is the SMILES notation for 3-[amino(carboxy)amino]propanoic acid?
The canonical SMILES for 3-[amino(carboxy)amino]propanoic acid is NN(CCC(=O)O)C(=O)O.
What is the InChIKey of 3-[amino(carboxy)amino]propanoic acid?
The InChIKey is BBKOEAYHHIQHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O4/c5-6(4(9)10)2-1-3(7)8/h1-2,5H2,(H,7,8)(H,9,10).
What are the key properties of 3-[amino(carboxy)amino]propanoic acid?
3-[amino(carboxy)amino]propanoic acid has a molecular weight of 148.12 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(carboxy)amino]propanoic acid is sourced from PubChem (CID 123794055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).