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

C7H13NO5 — CID 54464309

IUPAC3-[2-carboxyethyl(methoxy)amino]propanoic acid
SMILESCON(CCC(=O)O)CCC(=O)O
InChIInChI=1S/C7H13NO5/c1-13-8(4-2-6(9)10)5-3-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12)
InChIKeyXDTYHUUVOTUMPH-UHFFFAOYSA-N
MW191.18 g/mol
LogP-0.20
Rot. Bonds7

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

3-[2-carboxyethyl(methoxy)amino]propanoic acid (PubChem CID 54464309) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is 3-[2-carboxyethyl(methoxy)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-carboxyethyl(methoxy)amino]propanoic acid
PubChem CID54464309
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name3-[2-carboxyethyl(methoxy)amino]propanoic acid
SMILESCON(CCC(=O)O)CCC(=O)O
InChIInChI=1S/C7H13NO5/c1-13-8(4-2-6(9)10)5-3-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12)
InChIKeyXDTYHUUVOTUMPH-UHFFFAOYSA-N
XLogP-0.20
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-carboxyethyl(methoxy)amino]propanoic acid?
The IUPAC name of 3-[2-carboxyethyl(methoxy)amino]propanoic acid (CID 54464309) is 3-[2-carboxyethyl(methoxy)amino]propanoic acid.
What is the SMILES notation for 3-[2-carboxyethyl(methoxy)amino]propanoic acid?
The canonical SMILES for 3-[2-carboxyethyl(methoxy)amino]propanoic acid is CON(CCC(=O)O)CCC(=O)O.
What is the InChIKey of 3-[2-carboxyethyl(methoxy)amino]propanoic acid?
The InChIKey is XDTYHUUVOTUMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5/c1-13-8(4-2-6(9)10)5-3-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 3-[2-carboxyethyl(methoxy)amino]propanoic acid?
3-[2-carboxyethyl(methoxy)amino]propanoic acid has a molecular weight of 191.18 g/mol, XLogP of -0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-carboxyethyl(methoxy)amino]propanoic acid is sourced from PubChem (CID 54464309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).