2-[dodecyl(ethyl)amino]-2,2-dihydroxyacetic acid

C16H33NO4 — CID 174803700

IUPAC2-[dodecyl(ethyl)amino]-2,2-dihydroxyacetic acid
SMILESCCCCCCCCCCCCN(CC)C(O)(O)C(=O)O
InChIInChI=1S/C16H33NO4/c1-3-5-6-7-8-9-10-11-12-13-14-17(4-2)16(20,21)15(18)19/h20-21H,3-14H2,1-2H3,(H,18,19)
InChIKeyODUZKGFMALJFMX-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.95
Rot. Bonds14

About 2-[dodecyl(ethyl)amino]-2,2-dihydroxyacetic acid

2-[dodecyl(ethyl)amino]-2,2-dihydroxyacetic acid (PubChem CID 174803700) has the molecular formula C16H33NO4 and a molecular weight of 303.44 g/mol. Its IUPAC name is 2-[dodecyl(ethyl)amino]-2,2-dihydroxyacetic acid.

Molecular Properties

Compound Name2-[dodecyl(ethyl)amino]-2,2-dihydroxyacetic acid
PubChem CID174803700
Molecular FormulaC16H33NO4
Molecular Weight303.44 g/mol
Exact Mass303.24
IUPAC Name2-[dodecyl(ethyl)amino]-2,2-dihydroxyacetic acid
SMILESCCCCCCCCCCCCN(CC)C(O)(O)C(=O)O
InChIInChI=1S/C16H33NO4/c1-3-5-6-7-8-9-10-11-12-13-14-17(4-2)16(20,21)15(18)19/h20-21H,3-14H2,1-2H3,(H,18,19)
InChIKeyODUZKGFMALJFMX-UHFFFAOYSA-N
XLogP2.95
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[dodecyl(ethyl)amino]-2,2-dihydroxyacetic 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

(2S)-2-[dodecyl(octadecyl)amino]-2-octadecylpentanedioic acid
CID 175329642
(2S)-2-(didodecylamino)-2-octylpentanedioic acid
CID 175737801
[ethyl(propyl)amino]methanetriol
CID 169119513
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
N-acetyl-N-decylacetamide
CID 57029087
hexyl(octadecyl)carbamic acid
CID 87702094
acetic acid;N,N-didodecyldodecan-1-amine
CID 173289762
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
N,N-dimethylhexadecan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 88686314
N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine
CID 154429867
(2R,3R)-2,3-di(decanoyl)-2,3-dihydroxybutanedioic acid
CID 139659020

Frequently Asked Questions

What is the IUPAC name of 2-[dodecyl(ethyl)amino]-2,2-dihydroxyacetic acid?
The IUPAC name of 2-[dodecyl(ethyl)amino]-2,2-dihydroxyacetic acid (CID 174803700) is 2-[dodecyl(ethyl)amino]-2,2-dihydroxyacetic acid.
What is the SMILES notation for 2-[dodecyl(ethyl)amino]-2,2-dihydroxyacetic acid?
The canonical SMILES for 2-[dodecyl(ethyl)amino]-2,2-dihydroxyacetic acid is CCCCCCCCCCCCN(CC)C(O)(O)C(=O)O.
What is the InChIKey of 2-[dodecyl(ethyl)amino]-2,2-dihydroxyacetic acid?
The InChIKey is ODUZKGFMALJFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO4/c1-3-5-6-7-8-9-10-11-12-13-14-17(4-2)16(20,21)15(18)19/h20-21H,3-14H2,1-2H3,(H,18,19).
What are the key properties of 2-[dodecyl(ethyl)amino]-2,2-dihydroxyacetic acid?
2-[dodecyl(ethyl)amino]-2,2-dihydroxyacetic acid has a molecular weight of 303.44 g/mol, XLogP of 2.95, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dodecyl(ethyl)amino]-2,2-dihydroxyacetic acid is sourced from PubChem (CID 174803700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).