2-[2-hydroxyprop-2-enyl(2-propan-2-yloxyethyl)amino]acetic acid

C10H19NO4 — CID 161235975

IUPAC2-[2-hydroxyprop-2-enyl(2-propan-2-yloxyethyl)amino]acetic acid
SMILESC=C(O)CN(CCOC(C)C)CC(=O)O
InChIInChI=1S/C10H19NO4/c1-8(2)15-5-4-11(6-9(3)12)7-10(13)14/h8,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyKDJJCDFPUFQCPL-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.87
Rot. Bonds8

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

2-[2-hydroxyprop-2-enyl(2-propan-2-yloxyethyl)amino]acetic acid (PubChem CID 161235975) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[2-hydroxyprop-2-enyl(2-propan-2-yloxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxyprop-2-enyl(2-propan-2-yloxyethyl)amino]acetic acid
PubChem CID161235975
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[2-hydroxyprop-2-enyl(2-propan-2-yloxyethyl)amino]acetic acid
SMILESC=C(O)CN(CCOC(C)C)CC(=O)O
InChIInChI=1S/C10H19NO4/c1-8(2)15-5-4-11(6-9(3)12)7-10(13)14/h8,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyKDJJCDFPUFQCPL-UHFFFAOYSA-N
XLogP0.87
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-[2-hydroxyprop-2-enyl(2-propan-2-yloxyethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[bis(2-propan-2-yloxyethyl)amino]acetic acid
CID 157202089
2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 122500414
2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid
CID 79277607
ethane;2-[methyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 156795596
2-[2-[2-(1-carboxyethoxy)ethyl-(carboxymethyl)amino]ethoxy]propanoic acid
CID 90459132
2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid
CID 61484904
2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid;bis(2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid);ethene
CID 173205461
2-[2-[2-(carboxymethoxy)ethyl-(carboxymethyl)amino]ethoxy]butanedioic acid
CID 137372270
2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 81057488
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;ethene
CID 158664985
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;formaldehyde
CID 87841123
2-[bis(2-propan-2-yloxyethyl)amino]ethanol
CID 138492031

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyprop-2-enyl(2-propan-2-yloxyethyl)amino]acetic acid?
The IUPAC name of 2-[2-hydroxyprop-2-enyl(2-propan-2-yloxyethyl)amino]acetic acid (CID 161235975) is 2-[2-hydroxyprop-2-enyl(2-propan-2-yloxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-hydroxyprop-2-enyl(2-propan-2-yloxyethyl)amino]acetic acid?
The canonical SMILES for 2-[2-hydroxyprop-2-enyl(2-propan-2-yloxyethyl)amino]acetic acid is C=C(O)CN(CCOC(C)C)CC(=O)O.
What is the InChIKey of 2-[2-hydroxyprop-2-enyl(2-propan-2-yloxyethyl)amino]acetic acid?
The InChIKey is KDJJCDFPUFQCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-8(2)15-5-4-11(6-9(3)12)7-10(13)14/h8,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-hydroxyprop-2-enyl(2-propan-2-yloxyethyl)amino]acetic acid?
2-[2-hydroxyprop-2-enyl(2-propan-2-yloxyethyl)amino]acetic acid has a molecular weight of 217.26 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyprop-2-enyl(2-propan-2-yloxyethyl)amino]acetic acid is sourced from PubChem (CID 161235975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).