(2S,3R)-4-oxo-3-prop-2-enylazetidine-2-carboxylic acid

C7H9NO3 — CID 70320136

IUPAC(2S,3R)-4-oxo-3-prop-2-enylazetidine-2-carboxylic acid
SMILESC=CC[C@H]1C(=O)N[C@@H]1C(=O)O
InChIInChI=1S/C7H9NO3/c1-2-3-4-5(7(10)11)8-6(4)9/h2,4-5H,1,3H2,(H,8,9)(H,10,11)/t4-,5+/m1/s1
InChIKeyNFSIYCNIWNYIGQ-UHNVWZDZSA-N
MW155.15 g/mol
LogP-0.24
Rot. Bonds3

About (2S,3R)-4-oxo-3-prop-2-enylazetidine-2-carboxylic acid

(2S,3R)-4-oxo-3-prop-2-enylazetidine-2-carboxylic acid (PubChem CID 70320136) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (2S,3R)-4-oxo-3-prop-2-enylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-4-oxo-3-prop-2-enylazetidine-2-carboxylic acid
PubChem CID70320136
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(2S,3R)-4-oxo-3-prop-2-enylazetidine-2-carboxylic acid
SMILESC=CC[C@H]1C(=O)N[C@@H]1C(=O)O
InChIInChI=1S/C7H9NO3/c1-2-3-4-5(7(10)11)8-6(4)9/h2,4-5H,1,3H2,(H,8,9)(H,10,11)/t4-,5+/m1/s1
InChIKeyNFSIYCNIWNYIGQ-UHNVWZDZSA-N
XLogP-0.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-oxo-3-prop-2-enylazetidine-2-carboxylic acid?
The IUPAC name of (2S,3R)-4-oxo-3-prop-2-enylazetidine-2-carboxylic acid (CID 70320136) is (2S,3R)-4-oxo-3-prop-2-enylazetidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-4-oxo-3-prop-2-enylazetidine-2-carboxylic acid?
The canonical SMILES for (2S,3R)-4-oxo-3-prop-2-enylazetidine-2-carboxylic acid is C=CC[C@H]1C(=O)N[C@@H]1C(=O)O.
What is the InChIKey of (2S,3R)-4-oxo-3-prop-2-enylazetidine-2-carboxylic acid?
The InChIKey is NFSIYCNIWNYIGQ-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-3-4-5(7(10)11)8-6(4)9/h2,4-5H,1,3H2,(H,8,9)(H,10,11)/t4-,5+/m1/s1.
What are the key properties of (2S,3R)-4-oxo-3-prop-2-enylazetidine-2-carboxylic acid?
(2S,3R)-4-oxo-3-prop-2-enylazetidine-2-carboxylic acid has a molecular weight of 155.15 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-oxo-3-prop-2-enylazetidine-2-carboxylic acid is sourced from PubChem (CID 70320136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).