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

C18H35NO4 — CID 19295

IUPAC3-[2-carboxyethyl(dodecyl)amino]propanoic acid
SMILESCCCCCCCCCCCCN(CCC(=O)O)CCC(=O)O
InChIInChI=1S/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23/h2-16H2,1H3,(H,20,21)(H,22,23)
InChIKeyXYYUAOIALFMRGY-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.16
Rot. Bonds17

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

3-[2-carboxyethyl(dodecyl)amino]propanoic acid (PubChem CID 19295) has the molecular formula C18H35NO4 and a molecular weight of 329.48 g/mol. Its IUPAC name is 3-[2-carboxyethyl(dodecyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-carboxyethyl(dodecyl)amino]propanoic acid
PubChem CID19295
Molecular FormulaC18H35NO4
Molecular Weight329.48 g/mol
Exact Mass329.26
IUPAC Name3-[2-carboxyethyl(dodecyl)amino]propanoic acid
SMILESCCCCCCCCCCCCN(CCC(=O)O)CCC(=O)O
InChIInChI=1S/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23/h2-16H2,1H3,(H,20,21)(H,22,23)
InChIKeyXYYUAOIALFMRGY-UHFFFAOYSA-N
XLogP4.16
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-carboxyethyl(dodecyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sodium Lauriminodipropionate
CID 23675351
Disodium Lauriminodipropionate
CID 19294
beta-Alanine, N-tetradecyl-
CID 80199
Lauryldimethylammonium acetate
CID 12260037
Stearaminopropionic acid
CID 13848430
Disodium steariminodipropionate
CID 22287858
1-Octadecanamine, N,N-dimethyl-, acetate (1:1)
CID 88284
Dimethyltetradecylammonium acetate
CID 90440
1-Hexadecanamine, N,N-dimethyl-, acetate (1:1)
CID 91400
3-Carboxypropyl-dodecyl-dimethylazanium
CID 11536738
1-Heptadecanamine, N,N-dimethyl-, acetate (1:1)
CID 103094
N-(2-carboxyethyl)-N-octyl-beta-alanine
CID 104276

Frequently Asked Questions

What is the IUPAC name of 3-[2-carboxyethyl(dodecyl)amino]propanoic acid?
The IUPAC name of 3-[2-carboxyethyl(dodecyl)amino]propanoic acid (CID 19295) is 3-[2-carboxyethyl(dodecyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-carboxyethyl(dodecyl)amino]propanoic acid?
The canonical SMILES for 3-[2-carboxyethyl(dodecyl)amino]propanoic acid is CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)O.
What is the InChIKey of 3-[2-carboxyethyl(dodecyl)amino]propanoic acid?
The InChIKey is XYYUAOIALFMRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4/c1-2-3-4-5-6-7-8-9-10-11-14-19(15-12-17(20)21)16-13-18(22)23/h2-16H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-[2-carboxyethyl(dodecyl)amino]propanoic acid?
3-[2-carboxyethyl(dodecyl)amino]propanoic acid has a molecular weight of 329.48 g/mol, XLogP of 4.16, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-carboxyethyl(dodecyl)amino]propanoic acid is sourced from PubChem (CID 19295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).