2-[(2-hydroxy-3-methoxypropyl)amino]acetic acid

C6H13NO4 — CID 22565208

IUPAC2-[(2-hydroxy-3-methoxypropyl)amino]acetic acid
SMILESCOCC(O)CNCC(=O)O
InChIInChI=1S/C6H13NO4/c1-11-4-5(8)2-7-3-6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)
InChIKeyRGGUBHDJHULPQX-UHFFFAOYSA-N
MW163.17 g/mol
LogP-1.33
Rot. Bonds6

About 2-[(2-hydroxy-3-methoxypropyl)amino]acetic acid

2-[(2-hydroxy-3-methoxypropyl)amino]acetic acid (PubChem CID 22565208) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxypropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxypropyl)amino]acetic acid
PubChem CID22565208
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2-[(2-hydroxy-3-methoxypropyl)amino]acetic acid
SMILESCOCC(O)CNCC(=O)O
InChIInChI=1S/C6H13NO4/c1-11-4-5(8)2-7-3-6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)
InChIKeyRGGUBHDJHULPQX-UHFFFAOYSA-N
XLogP-1.33
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)amino]acetic acid?
The IUPAC name of 2-[(2-hydroxy-3-methoxypropyl)amino]acetic acid (CID 22565208) is 2-[(2-hydroxy-3-methoxypropyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxypropyl)amino]acetic acid?
The canonical SMILES for 2-[(2-hydroxy-3-methoxypropyl)amino]acetic acid is COCC(O)CNCC(=O)O.
What is the InChIKey of 2-[(2-hydroxy-3-methoxypropyl)amino]acetic acid?
The InChIKey is RGGUBHDJHULPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-11-4-5(8)2-7-3-6(9)10/h5,7-8H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-[(2-hydroxy-3-methoxypropyl)amino]acetic acid?
2-[(2-hydroxy-3-methoxypropyl)amino]acetic acid has a molecular weight of 163.17 g/mol, XLogP of -1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-methoxypropyl)amino]acetic acid is sourced from PubChem (CID 22565208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).