(2R)-2-(carboxymethyl)-4-oxo-3-phenylmethoxy-1,3-oxazetidine-2-carboxylic acid

C12H11NO7 — CID 57067292

IUPAC(2R)-2-(carboxymethyl)-4-oxo-3-phenylmethoxy-1,3-oxazetidine-2-carboxylic acid
SMILESO=C(O)C[C@]1(C(=O)O)OC(=O)N1OCc1ccccc1
InChIInChI=1S/C12H11NO7/c14-9(15)6-12(10(16)17)13(11(18)20-12)19-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)(H,16,17)/t12-/m1/s1
InChIKeySWBIUTBYLUIVSR-GFCCVEGCSA-N
MW281.22 g/mol
LogP0.83
Rot. Bonds6

About (2R)-2-(carboxymethyl)-4-oxo-3-phenylmethoxy-1,3-oxazetidine-2-carboxylic acid

(2R)-2-(carboxymethyl)-4-oxo-3-phenylmethoxy-1,3-oxazetidine-2-carboxylic acid (PubChem CID 57067292) has the molecular formula C12H11NO7 and a molecular weight of 281.22 g/mol. Its IUPAC name is (2R)-2-(carboxymethyl)-4-oxo-3-phenylmethoxy-1,3-oxazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(carboxymethyl)-4-oxo-3-phenylmethoxy-1,3-oxazetidine-2-carboxylic acid
PubChem CID57067292
Molecular FormulaC12H11NO7
Molecular Weight281.22 g/mol
Exact Mass281.05
IUPAC Name(2R)-2-(carboxymethyl)-4-oxo-3-phenylmethoxy-1,3-oxazetidine-2-carboxylic acid
SMILESO=C(O)C[C@]1(C(=O)O)OC(=O)N1OCc1ccccc1
InChIInChI=1S/C12H11NO7/c14-9(15)6-12(10(16)17)13(11(18)20-12)19-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)(H,16,17)/t12-/m1/s1
InChIKeySWBIUTBYLUIVSR-GFCCVEGCSA-N
XLogP0.83
TPSA113.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-3-phenylmethoxy-4H-1,3-oxazin-2-one
CID 101450898
2,2-dimethyl-4-phenylmethoxy-1-oxa-4-azaspiro[4.6]undeca-6,8,10-trien-3-one
CID 154722316
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
CID 65496133
6,6-diphenyl-4-phenylmethoxymorpholine-2,3,5-trione
CID 71333879
2-[(3R,4S,5S,6R)-2-hydroxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]acetic acid
CID 54345731
methyl 2-(4-oxo-1-phenylmethoxyazet-2-yl)acetate
CID 54559947
5-oxo-2-phenylmethoxyoxolane-2-carboxamide
CID 18468992
(2S,3R)-2-(carboxymethyl)-3-methyl-1-phenylmethoxycarbonylazetidine-2-carboxylic acid;(2R,3S)-2-(carboxymethyl)-3-methyl-1-phenylmethoxycarbonylazetidine-2-carboxylic acid
CID 134691754
2-(4-methyl-1-phenylmethoxycarbonylpiperidin-4-yl)acetic acid
CID 167735638
2,6,6-trimethyl-4-phenylmethoxyspiro[1,2,4-oxadiazinane-3,9'-fluorene]-5-one
CID 154723152
methyl 2-oxo-1-phenylmethoxy-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 118760045
acetic acid;phenylmethoxymethylbenzene
CID 175214238

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(carboxymethyl)-4-oxo-3-phenylmethoxy-1,3-oxazetidine-2-carboxylic acid?
The IUPAC name of (2R)-2-(carboxymethyl)-4-oxo-3-phenylmethoxy-1,3-oxazetidine-2-carboxylic acid (CID 57067292) is (2R)-2-(carboxymethyl)-4-oxo-3-phenylmethoxy-1,3-oxazetidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-(carboxymethyl)-4-oxo-3-phenylmethoxy-1,3-oxazetidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-(carboxymethyl)-4-oxo-3-phenylmethoxy-1,3-oxazetidine-2-carboxylic acid is O=C(O)C[C@]1(C(=O)O)OC(=O)N1OCc1ccccc1.
What is the InChIKey of (2R)-2-(carboxymethyl)-4-oxo-3-phenylmethoxy-1,3-oxazetidine-2-carboxylic acid?
The InChIKey is SWBIUTBYLUIVSR-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H11NO7/c14-9(15)6-12(10(16)17)13(11(18)20-12)19-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-2-(carboxymethyl)-4-oxo-3-phenylmethoxy-1,3-oxazetidine-2-carboxylic acid?
(2R)-2-(carboxymethyl)-4-oxo-3-phenylmethoxy-1,3-oxazetidine-2-carboxylic acid has a molecular weight of 281.22 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(carboxymethyl)-4-oxo-3-phenylmethoxy-1,3-oxazetidine-2-carboxylic acid is sourced from PubChem (CID 57067292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).