3-[(1-prop-2-enoxycarbonylazetidin-3-yl)methoxy]propanoic acid

C11H17NO5 — CID 167720835

IUPAC3-[(1-prop-2-enoxycarbonylazetidin-3-yl)methoxy]propanoic acid
SMILESC=CCOC(=O)N1CC(COCCC(=O)O)C1
InChIInChI=1S/C11H17NO5/c1-2-4-17-11(15)12-6-9(7-12)8-16-5-3-10(13)14/h2,9H,1,3-8H2,(H,13,14)
InChIKeyYRGSOOTTZBQOTH-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.73
Rot. Bonds7

About 3-[(1-prop-2-enoxycarbonylazetidin-3-yl)methoxy]propanoic acid

3-[(1-prop-2-enoxycarbonylazetidin-3-yl)methoxy]propanoic acid (PubChem CID 167720835) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-[(1-prop-2-enoxycarbonylazetidin-3-yl)methoxy]propanoic acid.

Molecular Properties

Compound Name3-[(1-prop-2-enoxycarbonylazetidin-3-yl)methoxy]propanoic acid
PubChem CID167720835
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name3-[(1-prop-2-enoxycarbonylazetidin-3-yl)methoxy]propanoic acid
SMILESC=CCOC(=O)N1CC(COCCC(=O)O)C1
InChIInChI=1S/C11H17NO5/c1-2-4-17-11(15)12-6-9(7-12)8-16-5-3-10(13)14/h2,9H,1,3-8H2,(H,13,14)
InChIKeyYRGSOOTTZBQOTH-UHFFFAOYSA-N
XLogP0.73
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.73
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

3-(3-methyl-1-prop-2-enoxycarbonylazetidin-3-yl)oxypropanoic acid
CID 167721215
3-[(3R,4S)-3-hydroxy-1-prop-2-enoxycarbonylpiperidin-4-yl]propanoic acid
CID 66870234
3-(2-prop-2-enoxyethoxy)propanoic acid
CID 59615985
prop-2-enyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 165416751
1-[(3R)-3-aminopyrrolidin-1-yl]-4-prop-2-enoxybutan-1-one
CID 119411303
3-pent-4-enoxypropanoic acid
CID 10034873
prop-2-enyl piperidine-1-carboxylate;hydrochloride
CID 139812322
3-(2-prop-2-enoyloxyethoxymethoxy)propanoic acid
CID 20793408
prop-2-enyl 4-iodopiperidine-1-carboxylate
CID 130407658
3-[(Z)-4-(2-carboxyethoxy)but-2-enoxy]propanoic acid
CID 88588608
3-O-tert-butyl 7-O-prop-2-enyl 9-amino-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate
CID 23569421
tris(prop-2-enyl) 2,4,6-trioxo-1,3,5-triazinane-1,3,5-tricarboxylate
CID 23322606

Frequently Asked Questions

What is the IUPAC name of 3-[(1-prop-2-enoxycarbonylazetidin-3-yl)methoxy]propanoic acid?
The IUPAC name of 3-[(1-prop-2-enoxycarbonylazetidin-3-yl)methoxy]propanoic acid (CID 167720835) is 3-[(1-prop-2-enoxycarbonylazetidin-3-yl)methoxy]propanoic acid.
What is the SMILES notation for 3-[(1-prop-2-enoxycarbonylazetidin-3-yl)methoxy]propanoic acid?
The canonical SMILES for 3-[(1-prop-2-enoxycarbonylazetidin-3-yl)methoxy]propanoic acid is C=CCOC(=O)N1CC(COCCC(=O)O)C1.
What is the InChIKey of 3-[(1-prop-2-enoxycarbonylazetidin-3-yl)methoxy]propanoic acid?
The InChIKey is YRGSOOTTZBQOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-2-4-17-11(15)12-6-9(7-12)8-16-5-3-10(13)14/h2,9H,1,3-8H2,(H,13,14).
What are the key properties of 3-[(1-prop-2-enoxycarbonylazetidin-3-yl)methoxy]propanoic acid?
3-[(1-prop-2-enoxycarbonylazetidin-3-yl)methoxy]propanoic acid has a molecular weight of 243.26 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-prop-2-enoxycarbonylazetidin-3-yl)methoxy]propanoic acid is sourced from PubChem (CID 167720835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).