3-[3-ethoxypropyl(ethyl)amino]propanoic acid

C10H21NO3 — CID 65180873

IUPAC3-[3-ethoxypropyl(ethyl)amino]propanoic acid
SMILESCCOCCCN(CC)CCC(=O)O
InChIInChI=1S/C10H21NO3/c1-3-11(8-6-10(12)13)7-5-9-14-4-2/h3-9H2,1-2H3,(H,12,13)
InChIKeyDKIDAJQYRAFFQR-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.21
Rot. Bonds9

About 3-[3-ethoxypropyl(ethyl)amino]propanoic acid

3-[3-ethoxypropyl(ethyl)amino]propanoic acid (PubChem CID 65180873) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-[3-ethoxypropyl(ethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-ethoxypropyl(ethyl)amino]propanoic acid
PubChem CID65180873
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-[3-ethoxypropyl(ethyl)amino]propanoic acid
SMILESCCOCCCN(CC)CCC(=O)O
InChIInChI=1S/C10H21NO3/c1-3-11(8-6-10(12)13)7-5-9-14-4-2/h3-9H2,1-2H3,(H,12,13)
InChIKeyDKIDAJQYRAFFQR-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.21
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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Related Compounds

3-[3-ethoxypropyl(2-methylpropyl)amino]propanoic acid
CID 82328964
4-[2-carboxyethyl(ethyl)amino]butanoic acid
CID 82330570
3-[3-[3-[3-[3-[3-[3-[bis[3-[3-[bis[3-[3-[bis(2-carboxyethyl)amino]propoxy]propyl]amino]propoxy]propyl]amino]propoxy]propyl-[3-[3-[bis[3-[3-[bis(2-carboxyethyl)amino]propoxy]propyl]amino]propoxy]propyl]amino]propoxy]propyl-[3-[3-[bis(2-carboxyethyl)amino]propoxy]propyl]amino]propoxy]propyl-(2-carboxyethyl)amino]propanoic acid
CID 11309468
3-[3-ethoxypropyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82329925
3-[3-ethoxypropyl(2-piperidin-1-ylethyl)amino]propanoic acid
CID 82330337
3-[ethyl(hexadecyl)amino]propanoic acid
CID 58963935
3-[dodecyl(ethyl)amino]propanoic acid
CID 62065544
2-[3-ethoxypropyl(propyl)amino]acetic acid
CID 65180824
3-[2-ethoxyethyl(methyl)amino]propanoic acid
CID 60988072
3-[(4-cyanophenyl)methyl-(3-ethoxypropyl)amino]propanoic acid
CID 82329991
3-[3-butoxypropyl(2-methylpropyl)amino]propanoic acid
CID 82328949
4-[butyl(ethyl)amino]butanoic acid
CID 20991778

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethoxypropyl(ethyl)amino]propanoic acid?
The IUPAC name of 3-[3-ethoxypropyl(ethyl)amino]propanoic acid (CID 65180873) is 3-[3-ethoxypropyl(ethyl)amino]propanoic acid.
What is the SMILES notation for 3-[3-ethoxypropyl(ethyl)amino]propanoic acid?
The canonical SMILES for 3-[3-ethoxypropyl(ethyl)amino]propanoic acid is CCOCCCN(CC)CCC(=O)O.
What is the InChIKey of 3-[3-ethoxypropyl(ethyl)amino]propanoic acid?
The InChIKey is DKIDAJQYRAFFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-11(8-6-10(12)13)7-5-9-14-4-2/h3-9H2,1-2H3,(H,12,13).
What are the key properties of 3-[3-ethoxypropyl(ethyl)amino]propanoic acid?
3-[3-ethoxypropyl(ethyl)amino]propanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethoxypropyl(ethyl)amino]propanoic acid is sourced from PubChem (CID 65180873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).