(2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid

C11H11NO3 — CID 10536224

IUPAC(2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid
SMILESO=C1C[C@@](Cc2ccccc2)(C(=O)O)N1
InChIInChI=1S/C11H11NO3/c13-9-7-11(12-9,10(14)15)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)(H,14,15)/t11-/m0/s1
InChIKeyDSFQNEKFCAEBLT-NSHDSACASA-N
MW205.21 g/mol
LogP0.57
Rot. Bonds3

About (2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid

(2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid (PubChem CID 10536224) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid
PubChem CID10536224
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid
SMILESO=C1C[C@@](Cc2ccccc2)(C(=O)O)N1
InChIInChI=1S/C11H11NO3/c13-9-7-11(12-9,10(14)15)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)(H,14,15)/t11-/m0/s1
InChIKeyDSFQNEKFCAEBLT-NSHDSACASA-N
XLogP0.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-7-oxo-2-(pyridin-3-ylmethyl)azepane-2-carboxylic acid
CID 99727875
(2S)-7-oxo-2-(pyridin-3-ylmethyl)azepane-2-carboxylic acid
CID 99727874
3-benzyl-3-phenylpyrrolidine-2,5-dione
CID 2843283
1-benzylcyclopropane-1-carboxylic acid
CID 562561
4,4-dibenzylpyrrolidin-2-one
CID 66107814
4-benzylpiperidine-4-carboxylic acid
CID 18365178
(7R)-7-benzylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid
CID 125469336
(2-benzylpyrrolidin-2-yl)-phenylmethanone
CID 594890
(2R)-1,2-dibenzyl-4-oxoazetidine-2-carboxylic acid
CID 86338341
2-benzyl-N-[(3-fluorophenyl)methyl]-7-oxoazepane-2-carboxamide
CID 91908934
1-benzyl-3,5-dioxocyclohexane-1-carboxamide
CID 70452873
2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid
CID 175545746

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid?
The IUPAC name of (2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid (CID 10536224) is (2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid is O=C1C[C@@](Cc2ccccc2)(C(=O)O)N1.
What is the InChIKey of (2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid?
The InChIKey is DSFQNEKFCAEBLT-NSHDSACASA-N. The full InChI is InChI=1S/C11H11NO3/c13-9-7-11(12-9,10(14)15)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid?
(2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 10536224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).