2-[2-(3-methoxypropoxy)ethyl-prop-2-enylamino]acetic acid

C11H21NO4 — CID 103181355

IUPAC2-[2-(3-methoxypropoxy)ethyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CCOCCCOC)CC(=O)O
InChIInChI=1S/C11H21NO4/c1-3-5-12(10-11(13)14)6-9-16-8-4-7-15-2/h3H,1,4-10H2,2H3,(H,13,14)
InChIKeySQVKXCHRSSEEHP-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.61
Rot. Bonds11

About 2-[2-(3-methoxypropoxy)ethyl-prop-2-enylamino]acetic acid

2-[2-(3-methoxypropoxy)ethyl-prop-2-enylamino]acetic acid (PubChem CID 103181355) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethyl-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethyl-prop-2-enylamino]acetic acid
PubChem CID103181355
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-[2-(3-methoxypropoxy)ethyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CCOCCCOC)CC(=O)O
InChIInChI=1S/C11H21NO4/c1-3-5-12(10-11(13)14)6-9-16-8-4-7-15-2/h3H,1,4-10H2,2H3,(H,13,14)
InChIKeySQVKXCHRSSEEHP-UHFFFAOYSA-N
XLogP0.61
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid
CID 103181230
2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid
CID 79277607
2-[butyl(prop-2-enyl)amino]acetic acid
CID 79277573
2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid
CID 103410839
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-(3-methoxypropoxy)ethoxy]acetic acid
CID 54027919
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-[3-(3,5-dimethylphenoxy)propyl-prop-2-enylamino]acetic acid
CID 79275496
2-[2-[2-[2-[bis(2-oxoethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid
CID 145210953
4-(3-methoxypropoxy)butanoic acid
CID 60918159
2-[3-(2-methoxyethoxy)propoxy]acetic acid
CID 87577722

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethyl-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethyl-prop-2-enylamino]acetic acid (CID 103181355) is 2-[2-(3-methoxypropoxy)ethyl-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethyl-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethyl-prop-2-enylamino]acetic acid is C=CCN(CCOCCCOC)CC(=O)O.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethyl-prop-2-enylamino]acetic acid?
The InChIKey is SQVKXCHRSSEEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-5-12(10-11(13)14)6-9-16-8-4-7-15-2/h3H,1,4-10H2,2H3,(H,13,14).
What are the key properties of 2-[2-(3-methoxypropoxy)ethyl-prop-2-enylamino]acetic acid?
2-[2-(3-methoxypropoxy)ethyl-prop-2-enylamino]acetic acid has a molecular weight of 231.29 g/mol, XLogP of 0.61, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethyl-prop-2-enylamino]acetic acid is sourced from PubChem (CID 103181355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).