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

C7H11NO5 — CID 54171230

IUPAC3-[2-carboxyethyl(formyl)amino]propanoic acid
SMILESO=CN(CCC(=O)O)CCC(=O)O
InChIInChI=1S/C7H11NO5/c9-5-8(3-1-6(10)11)4-2-7(12)13/h5H,1-4H2,(H,10,11)(H,12,13)
InChIKeyNPHDCNBONSLQAD-UHFFFAOYSA-N
MW189.17 g/mol
LogP-0.61
Rot. Bonds7

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

3-[2-carboxyethyl(formyl)amino]propanoic acid (PubChem CID 54171230) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is 3-[2-carboxyethyl(formyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-carboxyethyl(formyl)amino]propanoic acid
PubChem CID54171230
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name3-[2-carboxyethyl(formyl)amino]propanoic acid
SMILESO=CN(CCC(=O)O)CCC(=O)O
InChIInChI=1S/C7H11NO5/c9-5-8(3-1-6(10)11)4-2-7(12)13/h5H,1-4H2,(H,10,11)(H,12,13)
InChIKeyNPHDCNBONSLQAD-UHFFFAOYSA-N
XLogP-0.61
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-carboxyethyl(formyl)amino]propanoic acid?
The IUPAC name of 3-[2-carboxyethyl(formyl)amino]propanoic acid (CID 54171230) is 3-[2-carboxyethyl(formyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-carboxyethyl(formyl)amino]propanoic acid?
The canonical SMILES for 3-[2-carboxyethyl(formyl)amino]propanoic acid is O=CN(CCC(=O)O)CCC(=O)O.
What is the InChIKey of 3-[2-carboxyethyl(formyl)amino]propanoic acid?
The InChIKey is NPHDCNBONSLQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5/c9-5-8(3-1-6(10)11)4-2-7(12)13/h5H,1-4H2,(H,10,11)(H,12,13).
What are the key properties of 3-[2-carboxyethyl(formyl)amino]propanoic acid?
3-[2-carboxyethyl(formyl)amino]propanoic acid has a molecular weight of 189.17 g/mol, XLogP of -0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-carboxyethyl(formyl)amino]propanoic acid is sourced from PubChem (CID 54171230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).