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

C10H19NO3 — CID 79277607

IUPAC2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CCOC(C)C)CC(=O)O
InChIInChI=1S/C10H19NO3/c1-4-5-11(8-10(12)13)6-7-14-9(2)3/h4,9H,1,5-8H2,2-3H3,(H,12,13)
InChIKeyAOIUGZNNWPHKGA-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.98
Rot. Bonds8

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

2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid (PubChem CID 79277607) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid
PubChem CID79277607
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CCOC(C)C)CC(=O)O
InChIInChI=1S/C10H19NO3/c1-4-5-11(8-10(12)13)6-7-14-9(2)3/h4,9H,1,5-8H2,2-3H3,(H,12,13)
InChIKeyAOIUGZNNWPHKGA-UHFFFAOYSA-N
XLogP0.98
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(2-propan-2-yloxyethyl)amino]acetic acid
CID 157202089
2-[2-hydroxyprop-2-enyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 161235975
2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 122500414
2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 81057488
ethane;2-[methyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 156795596
2-[2-(3-methoxypropoxy)ethyl-prop-2-enylamino]acetic acid
CID 103181355
2-[2-propan-2-ylsulfonylethyl(prop-2-enyl)amino]acetic acid
CID 106727614
2-[butyl(prop-2-enyl)amino]acetic acid
CID 79277573
2-[[3-oxo-3-(propan-2-ylamino)propyl]-prop-2-enylamino]acetic acid
CID 79277550
2-[2-(4-ethoxyphenoxy)ethyl-prop-2-enylamino]acetic acid
CID 79276001
2-[2-(4-methylphenoxy)ethyl-prop-2-enylamino]acetic acid
CID 79276865
2-[2-[2-(1-carboxyethoxy)ethyl-(carboxymethyl)amino]ethoxy]propanoic acid
CID 90459132

Frequently Asked Questions

What is the IUPAC name of 2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid (CID 79277607) is 2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid is C=CCN(CCOC(C)C)CC(=O)O.
What is the InChIKey of 2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid?
The InChIKey is AOIUGZNNWPHKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-5-11(8-10(12)13)6-7-14-9(2)3/h4,9H,1,5-8H2,2-3H3,(H,12,13).
What are the key properties of 2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid?
2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid has a molecular weight of 201.27 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 79277607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).