2-[carboxymethyl(2-hydroxyethyl)amino]butanoic acid

C8H15NO5 — CID 22910549

IUPAC2-[carboxymethyl(2-hydroxyethyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CCO)CC(=O)O
InChIInChI=1S/C8H15NO5/c1-2-6(8(13)14)9(3-4-10)5-7(11)12/h6,10H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyGVQATTXUUNCGRE-UHFFFAOYSA-N
MW205.21 g/mol
LogP-0.77
Rot. Bonds7

About 2-[carboxymethyl(2-hydroxyethyl)amino]butanoic acid

2-[carboxymethyl(2-hydroxyethyl)amino]butanoic acid (PubChem CID 22910549) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[carboxymethyl(2-hydroxyethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[carboxymethyl(2-hydroxyethyl)amino]butanoic acid
PubChem CID22910549
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-[carboxymethyl(2-hydroxyethyl)amino]butanoic acid
SMILESCCC(C(=O)O)N(CCO)CC(=O)O
InChIInChI=1S/C8H15NO5/c1-2-6(8(13)14)9(3-4-10)5-7(11)12/h6,10H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyGVQATTXUUNCGRE-UHFFFAOYSA-N
XLogP-0.77
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(2-hydroxyethyl)amino]butanoic acid?
The IUPAC name of 2-[carboxymethyl(2-hydroxyethyl)amino]butanoic acid (CID 22910549) is 2-[carboxymethyl(2-hydroxyethyl)amino]butanoic acid.
What is the SMILES notation for 2-[carboxymethyl(2-hydroxyethyl)amino]butanoic acid?
The canonical SMILES for 2-[carboxymethyl(2-hydroxyethyl)amino]butanoic acid is CCC(C(=O)O)N(CCO)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(2-hydroxyethyl)amino]butanoic acid?
The InChIKey is GVQATTXUUNCGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-2-6(8(13)14)9(3-4-10)5-7(11)12/h6,10H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[carboxymethyl(2-hydroxyethyl)amino]butanoic acid?
2-[carboxymethyl(2-hydroxyethyl)amino]butanoic acid has a molecular weight of 205.21 g/mol, XLogP of -0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(2-hydroxyethyl)amino]butanoic acid is sourced from PubChem (CID 22910549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).