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

C13H30N2O5 — CID 174675948

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;2-(pentylamino)acetic acid
SMILESCCCCCNCC(=O)O.OCCN(CCO)CCO
InChIInChI=1S/C7H15NO2.C6H15NO3/c1-2-3-4-5-8-6-7(9)10;8-4-1-7(2-5-9)3-6-10/h8H,2-6H2,1H3,(H,9,10);8-10H,1-6H2
InChIKeyRNSNIZQBOOOHDM-UHFFFAOYSA-N
MW294.39 g/mol
LogP-0.88
Rot. Bonds12

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

2-[bis(2-hydroxyethyl)amino]ethanol;2-(pentylamino)acetic acid (PubChem CID 174675948) has the molecular formula C13H30N2O5 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;2-(pentylamino)acetic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;2-(pentylamino)acetic acid
PubChem CID174675948
Molecular FormulaC13H30N2O5
Molecular Weight294.39 g/mol
Exact Mass294.22
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;2-(pentylamino)acetic acid
SMILESCCCCCNCC(=O)O.OCCN(CCO)CCO
InChIInChI=1S/C7H15NO2.C6H15NO3/c1-2-3-4-5-8-6-7(9)10;8-4-1-7(2-5-9)3-6-10/h8H,2-6H2,1H3,(H,9,10);8-10H,1-6H2
InChIKeyRNSNIZQBOOOHDM-UHFFFAOYSA-N
XLogP-0.88
TPSA113.26 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 5-0.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(decylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid
CID 150216454
2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid
CID 175074033
CID 146586315
CID 146586315
sodium;2-(hexadecylamino)acetic acid;hydride
CID 174739572
2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid
CID 10091506
3-[hexyl(2-hydroxyethyl)amino]propanoic acid
CID 82329561
2-[3-[butyl(formyl)amino]propylamino]acetic acid
CID 142456634
2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid
CID 158492988
hexadecanoic acid;2-[2-hydroxyethyl(tetracosyl)amino]ethanol
CID 90146253
docosanoic acid;2-[2-hydroxyethyl(tetradecyl)amino]ethanol
CID 158369485
2-[heptadecyl(2-hydroxyethyl)amino]ethanol;octadecanoic acid
CID 90146098
2-(4-hydroxybutylamino)acetic acid
CID 22121765

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2-(pentylamino)acetic acid?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2-(pentylamino)acetic acid (CID 174675948) is 2-[bis(2-hydroxyethyl)amino]ethanol;2-(pentylamino)acetic acid.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;2-(pentylamino)acetic acid?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;2-(pentylamino)acetic acid is CCCCCNCC(=O)O.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;2-(pentylamino)acetic acid?
The InChIKey is RNSNIZQBOOOHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C6H15NO3/c1-2-3-4-5-8-6-7(9)10;8-4-1-7(2-5-9)3-6-10/h8H,2-6H2,1H3,(H,9,10);8-10H,1-6H2.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;2-(pentylamino)acetic acid?
2-[bis(2-hydroxyethyl)amino]ethanol;2-(pentylamino)acetic acid has a molecular weight of 294.39 g/mol, XLogP of -0.88, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;2-(pentylamino)acetic acid is sourced from PubChem (CID 174675948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).