3-[ethoxycarbonyl(methyl)amino]propanoic acid

C7H13NO4 — CID 23461603

IUPAC3-[ethoxycarbonyl(methyl)amino]propanoic acid
SMILESCCOC(=O)N(C)CCC(=O)O
InChIInChI=1S/C7H13NO4/c1-3-12-7(11)8(2)5-4-6(9)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyQHMINZNDPKXLOS-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.55
Rot. Bonds4

About 3-[ethoxycarbonyl(methyl)amino]propanoic acid

3-[ethoxycarbonyl(methyl)amino]propanoic acid (PubChem CID 23461603) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 3-[ethoxycarbonyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethoxycarbonyl(methyl)amino]propanoic acid
PubChem CID23461603
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name3-[ethoxycarbonyl(methyl)amino]propanoic acid
SMILESCCOC(=O)N(C)CCC(=O)O
InChIInChI=1S/C7H13NO4/c1-3-12-7(11)8(2)5-4-6(9)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyQHMINZNDPKXLOS-UHFFFAOYSA-N
XLogP0.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethoxycarbonyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[ethoxycarbonyl(methyl)amino]propanoic acid (CID 23461603) is 3-[ethoxycarbonyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethoxycarbonyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[ethoxycarbonyl(methyl)amino]propanoic acid is CCOC(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[ethoxycarbonyl(methyl)amino]propanoic acid?
The InChIKey is QHMINZNDPKXLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-3-12-7(11)8(2)5-4-6(9)10/h3-5H2,1-2H3,(H,9,10).
What are the key properties of 3-[ethoxycarbonyl(methyl)amino]propanoic acid?
3-[ethoxycarbonyl(methyl)amino]propanoic acid has a molecular weight of 175.18 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxycarbonyl(methyl)amino]propanoic acid is sourced from PubChem (CID 23461603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).