propyl (2R)-1-hydroxyazetidine-2-carboxylate

C7H13NO3 — CID 89096754

IUPACpropyl (2R)-1-hydroxyazetidine-2-carboxylate
SMILESCCCOC(=O)[C@H]1CCN1O
InChIInChI=1S/C7H13NO3/c1-2-5-11-7(9)6-3-4-8(6)10/h6,10H,2-5H2,1H3/t6-/m1/s1
InChIKeyUZBYKUOSWSSFBR-ZCFIWIBFSA-N
MW159.18 g/mol
LogP0.40
Rot. Bonds3

About propyl (2R)-1-hydroxyazetidine-2-carboxylate

propyl (2R)-1-hydroxyazetidine-2-carboxylate (PubChem CID 89096754) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is propyl (2R)-1-hydroxyazetidine-2-carboxylate.

Molecular Properties

Compound Namepropyl (2R)-1-hydroxyazetidine-2-carboxylate
PubChem CID89096754
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namepropyl (2R)-1-hydroxyazetidine-2-carboxylate
SMILESCCCOC(=O)[C@H]1CCN1O
InChIInChI=1S/C7H13NO3/c1-2-5-11-7(9)6-3-4-8(6)10/h6,10H,2-5H2,1H3/t6-/m1/s1
InChIKeyUZBYKUOSWSSFBR-ZCFIWIBFSA-N
XLogP0.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 1-(2-oxopropanoyl)pyrrolidine-2-carboxylate
CID 20709685
2-O-octyl 1-O-propyl piperidine-1,2-dicarboxylate
CID 91725615
1-O-(2-methoxyethyl) 2-O-propyl pyrrolidine-1,2-dicarboxylate
CID 91725937
tripropyl cyclopropane-1,2,3-tricarboxylate
CID 177455130
butyl (2S)-1-acetylpyrrolidine-2-carboxylate
CID 58391424
propyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 86586326
butyl 4-methyl-1-(1-methylpiperidin-4-yl)piperazine-2-carboxylate
CID 58135984
propyl 4-hydroxycyclohexane-1-carboxylate
CID 71338866
undecyl 1-acetylpyrrolidine-2-carboxylate
CID 85101195
hexyl (2S)-1-acetylpyrrolidine-2-carboxylate
CID 66695142
propyl (2S)-1-(2,2,3,3,4,4,4-heptafluorobutanoyl)pyrrolidine-2-carboxylate
CID 91979210
1-O-propyl 2-O-undec-10-enyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 20837169

Frequently Asked Questions

What is the IUPAC name of propyl (2R)-1-hydroxyazetidine-2-carboxylate?
The IUPAC name of propyl (2R)-1-hydroxyazetidine-2-carboxylate (CID 89096754) is propyl (2R)-1-hydroxyazetidine-2-carboxylate.
What is the SMILES notation for propyl (2R)-1-hydroxyazetidine-2-carboxylate?
The canonical SMILES for propyl (2R)-1-hydroxyazetidine-2-carboxylate is CCCOC(=O)[C@H]1CCN1O.
What is the InChIKey of propyl (2R)-1-hydroxyazetidine-2-carboxylate?
The InChIKey is UZBYKUOSWSSFBR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-5-11-7(9)6-3-4-8(6)10/h6,10H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of propyl (2R)-1-hydroxyazetidine-2-carboxylate?
propyl (2R)-1-hydroxyazetidine-2-carboxylate has a molecular weight of 159.18 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2R)-1-hydroxyazetidine-2-carboxylate is sourced from PubChem (CID 89096754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).