2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid

C9H19NO5 — CID 106305482

IUPAC2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid
SMILESCC(O)(CNCCCOCCO)C(=O)O
InChIInChI=1S/C9H19NO5/c1-9(14,8(12)13)7-10-3-2-5-15-6-4-11/h10-11,14H,2-7H2,1H3,(H,12,13)
InChIKeyDVYQWTWYTSJRSV-UHFFFAOYSA-N
MW221.25 g/mol
LogP-1.19
Rot. Bonds9

About 2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid

2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid (PubChem CID 106305482) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is 2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid
PubChem CID106305482
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC Name2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid
SMILESCC(O)(CNCCCOCCO)C(=O)O
InChIInChI=1S/C9H19NO5/c1-9(14,8(12)13)7-10-3-2-5-15-6-4-11/h10-11,14H,2-7H2,1H3,(H,12,13)
InChIKeyDVYQWTWYTSJRSV-UHFFFAOYSA-N
XLogP-1.19
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(2-hydroxyethoxy)propylamino]methyl]pentan-3-ol
CID 106309987
3-(3-aminopropylamino)-2-hydroxy-2-methylpropanoic acid
CID 104644350
3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid
CID 79629719
3-(3-butoxypropylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 113481168
3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol
CID 106309635
2-hydroxy-2-methyl-3-(5,5,5-trifluoropentylamino)propanoic acid
CID 104644905
2-[3-(tert-butylamino)propoxy]ethanol
CID 150900173
3-[2-(2-hydroxyethoxy)ethylamino]-2-methylpropane-1,2-diol
CID 66186020
tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate
CID 170396361
acetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol
CID 170851878
methyl 2,2-dimethyl-3-(3-propoxypropylamino)propanoate
CID 82944131
1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol
CID 104985809

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid (CID 106305482) is 2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid is CC(O)(CNCCCOCCO)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid?
The InChIKey is DVYQWTWYTSJRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5/c1-9(14,8(12)13)7-10-3-2-5-15-6-4-11/h10-11,14H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid?
2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid has a molecular weight of 221.25 g/mol, XLogP of -1.19, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[3-(2-hydroxyethoxy)propylamino]-2-methylpropanoic acid is sourced from PubChem (CID 106305482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).