2-[3-ethoxypropanoyl(methyl)amino]propanoic acid

C9H17NO4 — CID 62626578

IUPAC2-[3-ethoxypropanoyl(methyl)amino]propanoic acid
SMILESCCOCCC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C9H17NO4/c1-4-14-6-5-8(11)10(3)7(2)9(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyGPMMLJZGHKCJLY-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.34
Rot. Bonds6

About 2-[3-ethoxypropanoyl(methyl)amino]propanoic acid

2-[3-ethoxypropanoyl(methyl)amino]propanoic acid (PubChem CID 62626578) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[3-ethoxypropanoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[3-ethoxypropanoyl(methyl)amino]propanoic acid
PubChem CID62626578
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-[3-ethoxypropanoyl(methyl)amino]propanoic acid
SMILESCCOCCC(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C9H17NO4/c1-4-14-6-5-8(11)10(3)7(2)9(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyGPMMLJZGHKCJLY-UHFFFAOYSA-N
XLogP0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxypropanoyl(methyl)amino]propanoic acid?
The IUPAC name of 2-[3-ethoxypropanoyl(methyl)amino]propanoic acid (CID 62626578) is 2-[3-ethoxypropanoyl(methyl)amino]propanoic acid.
What is the SMILES notation for 2-[3-ethoxypropanoyl(methyl)amino]propanoic acid?
The canonical SMILES for 2-[3-ethoxypropanoyl(methyl)amino]propanoic acid is CCOCCC(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[3-ethoxypropanoyl(methyl)amino]propanoic acid?
The InChIKey is GPMMLJZGHKCJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-4-14-6-5-8(11)10(3)7(2)9(12)13/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-[3-ethoxypropanoyl(methyl)amino]propanoic acid?
2-[3-ethoxypropanoyl(methyl)amino]propanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxypropanoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 62626578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).