2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid

C17H36N2O4 — CID 175329746

IUPAC2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid
SMILESCCCCCCCCCCCC(=O)N(C)CC(=O)O.NCCO
InChIInChI=1S/C15H29NO3.C2H7NO/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;3-1-2-4/h3-13H2,1-2H3,(H,18,19);4H,1-3H2
InChIKeyQZYBMZJBCMOLST-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.39
Rot. Bonds13

About 2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid

2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid (PubChem CID 175329746) has the molecular formula C17H36N2O4 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid
PubChem CID175329746
Molecular FormulaC17H36N2O4
Molecular Weight332.49 g/mol
Exact Mass332.27
IUPAC Name2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid
SMILESCCCCCCCCCCCC(=O)N(C)CC(=O)O.NCCO
InChIInChI=1S/C15H29NO3.C2H7NO/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;3-1-2-4/h3-13H2,1-2H3,(H,18,19);4H,1-3H2
InChIKeyQZYBMZJBCMOLST-UHFFFAOYSA-N
XLogP2.39
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic 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

2-[methyl(nonadecanoyl)amino]acetic acid
CID 13318293
potassium;sodium;2-[dodecanoyl(methyl)amino]acetic acid;hydride
CID 174463731
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid;octadecan-1-amine
CID 174638306
2-[[(Z)-docos-13-enoyl]-methylamino]acetic acid
CID 109374190
2-[methyl(octadec-11-enoyl)amino]acetic acid
CID 175197754
2-[[(E)-hexadec-8-enoyl]-methylamino]acetic acid
CID 20606581
2-[methyl-[(Z)-octadec-9-enoyl]amino]acetic acid;zinc
CID 158929177
1-[bis(1-hydroxyethyl)amino]ethanol;2-[methyl(tetradecanoyl)amino]acetic acid
CID 170168150
2-[6-fluorohexanoyl(methyl)amino]acetic acid
CID 101279688
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid?
The IUPAC name of 2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid (CID 175329746) is 2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid?
The canonical SMILES for 2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid is CCCCCCCCCCCC(=O)N(C)CC(=O)O.NCCO.
What is the InChIKey of 2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid?
The InChIKey is QZYBMZJBCMOLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3.C2H7NO/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;3-1-2-4/h3-13H2,1-2H3,(H,18,19);4H,1-3H2.
What are the key properties of 2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid?
2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid has a molecular weight of 332.49 g/mol, XLogP of 2.39, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-[dodecanoyl(methyl)amino]acetic acid is sourced from PubChem (CID 175329746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).