4-[bis(2-hydroxyethyl)amino]butanoic acid

C8H17NO4 — CID 22902543

IUPAC4-[bis(2-hydroxyethyl)amino]butanoic acid
SMILESO=C(O)CCCN(CCO)CCO
InChIInChI=1S/C8H17NO4/c10-6-4-9(5-7-11)3-1-2-8(12)13/h10-11H,1-7H2,(H,12,13)
InChIKeyPRLFPCSUDDWZSY-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.86
Rot. Bonds8

About 4-[bis(2-hydroxyethyl)amino]butanoic acid

4-[bis(2-hydroxyethyl)amino]butanoic acid (PubChem CID 22902543) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-[bis(2-hydroxyethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[bis(2-hydroxyethyl)amino]butanoic acid
PubChem CID22902543
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name4-[bis(2-hydroxyethyl)amino]butanoic acid
SMILESO=C(O)CCCN(CCO)CCO
InChIInChI=1S/C8H17NO4/c10-6-4-9(5-7-11)3-1-2-8(12)13/h10-11H,1-7H2,(H,12,13)
InChIKeyPRLFPCSUDDWZSY-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

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-hydroxyethyl)amino]butanoic acid?
The IUPAC name of 4-[bis(2-hydroxyethyl)amino]butanoic acid (CID 22902543) is 4-[bis(2-hydroxyethyl)amino]butanoic acid.
What is the SMILES notation for 4-[bis(2-hydroxyethyl)amino]butanoic acid?
The canonical SMILES for 4-[bis(2-hydroxyethyl)amino]butanoic acid is O=C(O)CCCN(CCO)CCO.
What is the InChIKey of 4-[bis(2-hydroxyethyl)amino]butanoic acid?
The InChIKey is PRLFPCSUDDWZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c10-6-4-9(5-7-11)3-1-2-8(12)13/h10-11H,1-7H2,(H,12,13).
What are the key properties of 4-[bis(2-hydroxyethyl)amino]butanoic acid?
4-[bis(2-hydroxyethyl)amino]butanoic 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 4-[bis(2-hydroxyethyl)amino]butanoic acid is sourced from PubChem (CID 22902543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).