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

C6H13NO4 — CID 19736988

IUPAC2-[bis(1-hydroxyethyl)amino]acetic acid
SMILESCC(O)N(CC(=O)O)C(C)O
InChIInChI=1S/C6H13NO4/c1-4(8)7(5(2)9)3-6(10)11/h4-5,8-9H,3H2,1-2H3,(H,10,11)
InChIKeyLHSQYLLQRMGBNW-UHFFFAOYSA-N
MW163.17 g/mol
LogP-0.95
Rot. Bonds4

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

2-[bis(1-hydroxyethyl)amino]acetic acid (PubChem CID 19736988) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-[bis(1-hydroxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[bis(1-hydroxyethyl)amino]acetic acid
PubChem CID19736988
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2-[bis(1-hydroxyethyl)amino]acetic acid
SMILESCC(O)N(CC(=O)O)C(C)O
InChIInChI=1S/C6H13NO4/c1-4(8)7(5(2)9)3-6(10)11/h4-5,8-9H,3H2,1-2H3,(H,10,11)
InChIKeyLHSQYLLQRMGBNW-UHFFFAOYSA-N
XLogP-0.95
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(1-hydroxyethyl)amino]acetic acid?
The IUPAC name of 2-[bis(1-hydroxyethyl)amino]acetic acid (CID 19736988) is 2-[bis(1-hydroxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[bis(1-hydroxyethyl)amino]acetic acid?
The canonical SMILES for 2-[bis(1-hydroxyethyl)amino]acetic acid is CC(O)N(CC(=O)O)C(C)O.
What is the InChIKey of 2-[bis(1-hydroxyethyl)amino]acetic acid?
The InChIKey is LHSQYLLQRMGBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-4(8)7(5(2)9)3-6(10)11/h4-5,8-9H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-[bis(1-hydroxyethyl)amino]acetic acid?
2-[bis(1-hydroxyethyl)amino]acetic acid has a molecular weight of 163.17 g/mol, XLogP of -0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(1-hydroxyethyl)amino]acetic acid is sourced from PubChem (CID 19736988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).