2-aminoethanol;2-(tetradecanoylamino)pentanedioic acid

C21H42N2O6 — CID 175329690

IUPAC2-aminoethanol;2-(tetradecanoylamino)pentanedioic acid
SMILESCCCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)O.NCCO
InChIInChI=1S/C19H35NO5.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23;3-1-2-4/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25);4H,1-3H2
InChIKeyMYYKNATVMZMHCE-UHFFFAOYSA-N
MW418.58 g/mol
LogP3.06
Rot. Bonds18

About 2-aminoethanol;2-(tetradecanoylamino)pentanedioic acid

2-aminoethanol;2-(tetradecanoylamino)pentanedioic acid (PubChem CID 175329690) has the molecular formula C21H42N2O6 and a molecular weight of 418.58 g/mol. Its IUPAC name is 2-aminoethanol;2-(tetradecanoylamino)pentanedioic acid.

Molecular Properties

Compound Name2-aminoethanol;2-(tetradecanoylamino)pentanedioic acid
PubChem CID175329690
Molecular FormulaC21H42N2O6
Molecular Weight418.58 g/mol
Exact Mass418.30
IUPAC Name2-aminoethanol;2-(tetradecanoylamino)pentanedioic acid
SMILESCCCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)O.NCCO
InChIInChI=1S/C19H35NO5.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23;3-1-2-4/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25);4H,1-3H2
InChIKeyMYYKNATVMZMHCE-UHFFFAOYSA-N
XLogP3.06
TPSA149.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 53.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(tetradecanoylamino)pentanedioic acid
CID 18634845
2-(dodecanoylamino)pentanedioic acid;bis(hexane)
CID 175093348
(2R)-2-(undecanoylamino)pentanedioic acid
CID 11472521
N-Myristoyl-L-glutamic acid sodium salt
CID 87532244
potassium (2R)-2-(dodecanoylamino)pentanedioic acid
CID 10270407
alumane;(2S)-2-(dodecanoylamino)pentanedioic acid
CID 173075186
azane;(2S)-2-(dodecanoylamino)pentanedioic acid
CID 173170599
(2S)-2-(hexanoylamino)pentanedioic acid
CID 54368145
2-(dodecanoylamino)pentanedioic acid;bis(hexanamide)
CID 175413316
sodium;(2R)-2-(hexadecanoylamino)pentanedioic acid;hydride
CID 173283992
2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-(octadecanoylamino)pentanedioic acid
CID 71587173
bis(2-methylpropanamide);(2S)-2-(octanoylamino)pentanedioic acid
CID 157237897

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-(tetradecanoylamino)pentanedioic acid?
The IUPAC name of 2-aminoethanol;2-(tetradecanoylamino)pentanedioic acid (CID 175329690) is 2-aminoethanol;2-(tetradecanoylamino)pentanedioic acid.
What is the SMILES notation for 2-aminoethanol;2-(tetradecanoylamino)pentanedioic acid?
The canonical SMILES for 2-aminoethanol;2-(tetradecanoylamino)pentanedioic acid is CCCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)O.NCCO.
What is the InChIKey of 2-aminoethanol;2-(tetradecanoylamino)pentanedioic acid?
The InChIKey is MYYKNATVMZMHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO5.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23;3-1-2-4/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25);4H,1-3H2.
What are the key properties of 2-aminoethanol;2-(tetradecanoylamino)pentanedioic acid?
2-aminoethanol;2-(tetradecanoylamino)pentanedioic acid has a molecular weight of 418.58 g/mol, XLogP of 3.06, 18 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-(tetradecanoylamino)pentanedioic acid is sourced from PubChem (CID 175329690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).