1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid

C22H46N2O6 — CID 87532133

IUPAC1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid
SMILESCC(O)N(C(C)O)C(C)O.CCCCCCCCCCCCCC(=O)NCC(=O)O
InChIInChI=1S/C16H31NO3.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(19)20;1-4(8)7(5(2)9)6(3)10/h2-14H2,1H3,(H,17,18)(H,19,20);4-6,8-10H,1-3H3
InChIKeyKBYGIQAUWIJAHJ-UHFFFAOYSA-N
MW434.62 g/mol
LogP3.19
Rot. Bonds17

About 1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid

1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid (PubChem CID 87532133) has the molecular formula C22H46N2O6 and a molecular weight of 434.62 g/mol. Its IUPAC name is 1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid.

Molecular Properties

Compound Name1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid
PubChem CID87532133
Molecular FormulaC22H46N2O6
Molecular Weight434.62 g/mol
Exact Mass434.34
IUPAC Name1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid
SMILESCC(O)N(C(C)O)C(C)O.CCCCCCCCCCCCCC(=O)NCC(=O)O
InChIInChI=1S/C16H31NO3.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(19)20;1-4(8)7(5(2)9)6(3)10/h2-14H2,1H3,(H,17,18)(H,19,20);4-6,8-10H,1-3H3
InChIKeyKBYGIQAUWIJAHJ-UHFFFAOYSA-N
XLogP3.19
TPSA130.33 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.62
LogP ≤ 53.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

sodium;2-(hexadecanoylamino)acetic acid;hydride
CID 173207705
potassium;hydride;2-(octadecanoylamino)acetic acid
CID 174739574
1-[bis(1-hydroxyethyl)amino]ethanol;tetradecanoic acid
CID 87531971
2-[[(Z)-octadec-11-enoyl]amino]acetic acid
CID 135240006
2-[4-(octanoylamino)butanoylamino]acetic acid
CID 170428184
2-[[(Z)-octadec-9-enoyl]amino]acetic acid
CID 6436908
1-[bis(1-hydroxyethyl)amino]ethanol;(Z)-octadec-9-enoic acid
CID 87844912
2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777
2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]acetic acid
CID 5353808
2-[[2-(pentanoylamino)acetyl]amino]acetic acid
CID 43387772
2-(7-methyloctanoylamino)acetic acid
CID 21289225
2-(10-deuteriodecanoylamino)acetic acid
CID 170555179

Frequently Asked Questions

What is the IUPAC name of 1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid?
The IUPAC name of 1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid (CID 87532133) is 1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid.
What is the SMILES notation for 1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid?
The canonical SMILES for 1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid is CC(O)N(C(C)O)C(C)O.CCCCCCCCCCCCCC(=O)NCC(=O)O.
What is the InChIKey of 1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid?
The InChIKey is KBYGIQAUWIJAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(19)20;1-4(8)7(5(2)9)6(3)10/h2-14H2,1H3,(H,17,18)(H,19,20);4-6,8-10H,1-3H3.
What are the key properties of 1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid?
1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid has a molecular weight of 434.62 g/mol, XLogP of 3.19, 17 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid is sourced from PubChem (CID 87532133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).