3-(3-methyl-1-prop-2-enoxycarbonylazetidin-3-yl)oxypropanoic acid

C11H17NO5 — CID 167721215

IUPAC3-(3-methyl-1-prop-2-enoxycarbonylazetidin-3-yl)oxypropanoic acid
SMILESC=CCOC(=O)N1CC(C)(OCCC(=O)O)C1
InChIInChI=1S/C11H17NO5/c1-3-5-16-10(15)12-7-11(2,8-12)17-6-4-9(13)14/h3H,1,4-8H2,2H3,(H,13,14)
InChIKeyLUKCUAKARJOALY-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.87
Rot. Bonds6

About 3-(3-methyl-1-prop-2-enoxycarbonylazetidin-3-yl)oxypropanoic acid

3-(3-methyl-1-prop-2-enoxycarbonylazetidin-3-yl)oxypropanoic acid (PubChem CID 167721215) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-(3-methyl-1-prop-2-enoxycarbonylazetidin-3-yl)oxypropanoic acid.

Molecular Properties

Compound Name3-(3-methyl-1-prop-2-enoxycarbonylazetidin-3-yl)oxypropanoic acid
PubChem CID167721215
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name3-(3-methyl-1-prop-2-enoxycarbonylazetidin-3-yl)oxypropanoic acid
SMILESC=CCOC(=O)N1CC(C)(OCCC(=O)O)C1
InChIInChI=1S/C11H17NO5/c1-3-5-16-10(15)12-7-11(2,8-12)17-6-4-9(13)14/h3H,1,4-8H2,2H3,(H,13,14)
InChIKeyLUKCUAKARJOALY-UHFFFAOYSA-N
XLogP0.87
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-but-3-enoyl-3-methylazetidin-3-yl)oxyacetic acid
CID 102657283
3-[(1-prop-2-enoxycarbonylazetidin-3-yl)methoxy]propanoic acid
CID 167720835
(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-7-prop-2-enoxycarbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 170756263
3-[(3R,4S)-3-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl]propanoic acid
CID 66870234
benzyl 3-ethoxy-3-methylazetidine-1-carboxylate
CID 130804628
2-[1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658238
prop-2-enyl piperidine-1-carboxylate;hydrochloride
CID 139812322
4-(1-methylcyclopropyl)oxybutanoic acid
CID 156904145
tris(prop-2-enyl) 2,4,6-trioxo-1,3,5-triazinane-1,3,5-tricarboxylate
CID 23322606
ethyl 3-(1-ethoxycarbonyl-3-hydroxyazetidin-3-yl)-3-hydroxyazetidine-1-carboxylate
CID 10902282
3-(2-prop-2-enoxyethoxy)propanoic acid
CID 59615985
2-[1-(6-aminohexanoyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658222

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1-prop-2-enoxycarbonylazetidin-3-yl)oxypropanoic acid?
The IUPAC name of 3-(3-methyl-1-prop-2-enoxycarbonylazetidin-3-yl)oxypropanoic acid (CID 167721215) is 3-(3-methyl-1-prop-2-enoxycarbonylazetidin-3-yl)oxypropanoic acid.
What is the SMILES notation for 3-(3-methyl-1-prop-2-enoxycarbonylazetidin-3-yl)oxypropanoic acid?
The canonical SMILES for 3-(3-methyl-1-prop-2-enoxycarbonylazetidin-3-yl)oxypropanoic acid is C=CCOC(=O)N1CC(C)(OCCC(=O)O)C1.
What is the InChIKey of 3-(3-methyl-1-prop-2-enoxycarbonylazetidin-3-yl)oxypropanoic acid?
The InChIKey is LUKCUAKARJOALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-3-5-16-10(15)12-7-11(2,8-12)17-6-4-9(13)14/h3H,1,4-8H2,2H3,(H,13,14).
What are the key properties of 3-(3-methyl-1-prop-2-enoxycarbonylazetidin-3-yl)oxypropanoic acid?
3-(3-methyl-1-prop-2-enoxycarbonylazetidin-3-yl)oxypropanoic acid has a molecular weight of 243.26 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1-prop-2-enoxycarbonylazetidin-3-yl)oxypropanoic acid is sourced from PubChem (CID 167721215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).