2-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid

C10H21NO4 — CID 79269476

IUPAC2-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid
SMILESCC(C)(C)N(CCOCCO)CC(=O)O
InChIInChI=1S/C10H21NO4/c1-10(2,3)11(8-9(13)14)4-6-15-7-5-12/h12H,4-8H2,1-3H3,(H,13,14)
InChIKeyAEIGKANKNLBWNY-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.18
Rot. Bonds7

About 2-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid

2-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid (PubChem CID 79269476) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid
PubChem CID79269476
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid
SMILESCC(C)(C)N(CCOCCO)CC(=O)O
InChIInChI=1S/C10H21NO4/c1-10(2,3)11(8-9(13)14)4-6-15-7-5-12/h12H,4-8H2,1-3H3,(H,13,14)
InChIKeyAEIGKANKNLBWNY-UHFFFAOYSA-N
XLogP0.18
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid
CID 79268852
2-[ethyl-[2-(2-hydroxyethoxy)ethyl]amino]-2-methylpropanoic acid
CID 62821128
CID 131887709
CID 131887709
3-[tert-butyl(2-propoxyethyl)amino]propanoic acid
CID 106454620
2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid
CID 79268300
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
N,N-bis[2-(2-hydroxyethoxy)ethyl]propanamide
CID 91261493
2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride
CID 175224528
2-[N-[2-(2-hydroxyethoxy)ethyl]anilino]acetic acid
CID 61070339
2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2,2,2-trifluoroacetic acid
CID 175688444
2-[tert-butyl(cyclopropylmethyl)amino]acetic acid
CID 79268654
2-[tert-butyl(2-oxobutyl)amino]acetic acid
CID 89002120

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid (CID 79269476) is 2-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid is CC(C)(C)N(CCOCCO)CC(=O)O.
What is the InChIKey of 2-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid?
The InChIKey is AEIGKANKNLBWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-10(2,3)11(8-9(13)14)4-6-15-7-5-12/h12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid?
2-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid has a molecular weight of 219.28 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid is sourced from PubChem (CID 79269476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).