2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid

C9H19NO4 — CID 122500414

IUPAC2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid
SMILESCC(C)OCCN(CCO)CC(=O)O
InChIInChI=1S/C9H19NO4/c1-8(2)14-6-4-10(3-5-11)7-9(12)13/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyKJNMCPLENQVHKV-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.21
Rot. Bonds8

About 2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid

2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid (PubChem CID 122500414) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid
PubChem CID122500414
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid
SMILESCC(C)OCCN(CCO)CC(=O)O
InChIInChI=1S/C9H19NO4/c1-8(2)14-6-4-10(3-5-11)7-9(12)13/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyKJNMCPLENQVHKV-UHFFFAOYSA-N
XLogP-0.21
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(2-propan-2-yloxyethyl)amino]acetic acid
CID 157202089
2-[bis(2-propan-2-yloxyethyl)amino]ethanol
CID 138492031
2-[2-hydroxyprop-2-enyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 161235975
2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid
CID 79277607
2-[2-[2-(1-carboxyethoxy)ethyl-(carboxymethyl)amino]ethoxy]propanoic acid
CID 90459132
ethane;2-[methyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 156795596
2-hydroxyethyl 2-[2-methoxyethyl(2-propan-2-yloxyethyl)amino]acetate
CID 153354014
2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid
CID 61484904
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-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid
CID 138080551

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid?
The IUPAC name of 2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid (CID 122500414) is 2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid?
The canonical SMILES for 2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid is CC(C)OCCN(CCO)CC(=O)O.
What is the InChIKey of 2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid?
The InChIKey is KJNMCPLENQVHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-8(2)14-6-4-10(3-5-11)7-9(12)13/h8,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid?
2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid has a molecular weight of 205.25 g/mol, XLogP of -0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid is sourced from PubChem (CID 122500414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).