2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid

C8H17NO4 — CID 138080551

IUPAC2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid
SMILESO=C(O)CN(CCO)CCCCO
InChIInChI=1S/C8H17NO4/c10-5-2-1-3-9(4-6-11)7-8(12)13/h10-11H,1-7H2,(H,12,13)
InChIKeySKVKXUWEGDKBEJ-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.86
Rot. Bonds8

About 2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid

2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid (PubChem CID 138080551) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid
PubChem CID138080551
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid
SMILESO=C(O)CN(CCO)CCCCO
InChIInChI=1S/C8H17NO4/c10-5-2-1-3-9(4-6-11)7-8(12)13/h10-11H,1-7H2,(H,12,13)
InChIKeySKVKXUWEGDKBEJ-UHFFFAOYSA-N
XLogP-0.86
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[5-hydroxypentyl(propyl)amino]acetic acid
CID 62228100
CID 87469111
CID 87469111
hexasodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid;hydride
CID 173154313
azanium;2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid;iron
CID 163360235
2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid
CID 107704554
2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 107704620
2-[2-hydroxyethyl(4-oxopentadecyl)amino]acetic acid
CID 58572256
2-[di(pentadecyl)amino]acetic acid
CID 101313622
2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide
CID 90229971
2-[2-hydroxyethyl-[2-(methylamino)ethyl]amino]acetic acid
CID 118019685
trisodium;tris(2-[carboxymethyl-[2-[carboxymethyl(2-hydroxyethyl)amino]ethyl]amino]acetate)
CID 173437538
5-[bis(carboxymethyl)amino]pentanoic acid
CID 23422745

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid?
The IUPAC name of 2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid (CID 138080551) is 2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid?
The canonical SMILES for 2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid is O=C(O)CN(CCO)CCCCO.
What is the InChIKey of 2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid?
The InChIKey is SKVKXUWEGDKBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c10-5-2-1-3-9(4-6-11)7-8(12)13/h10-11H,1-7H2,(H,12,13).
What are the key properties of 2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid?
2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid has a molecular weight of 191.23 g/mol, XLogP of -0.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid is sourced from PubChem (CID 138080551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).