(2S,3R)-1-(1-aminoethenyl)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid

C11H14N4O3S — CID 147889258

IUPAC(2S,3R)-1-(1-aminoethenyl)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid
SMILESC=C(N)N1C(=O)[C@H](CCc2cnc(N)s2)[C@H]1C(=O)O
InChIInChI=1S/C11H14N4O3S/c1-5(12)15-8(10(17)18)7(9(15)16)3-2-6-4-14-11(13)19-6/h4,7-8H,1-3,12H2,(H2,13,14)(H,17,18)/t7-,8+/m1/s1
InChIKeyIBYJGJWDJZNZKA-SFYZADRCSA-N
MW282.32 g/mol
LogP-0.00
Rot. Bonds5

About (2S,3R)-1-(1-aminoethenyl)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid

(2S,3R)-1-(1-aminoethenyl)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid (PubChem CID 147889258) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is (2S,3R)-1-(1-aminoethenyl)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-1-(1-aminoethenyl)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid
PubChem CID147889258
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name(2S,3R)-1-(1-aminoethenyl)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid
SMILESC=C(N)N1C(=O)[C@H](CCc2cnc(N)s2)[C@H]1C(=O)O
InChIInChI=1S/C11H14N4O3S/c1-5(12)15-8(10(17)18)7(9(15)16)3-2-6-4-14-11(13)19-6/h4,7-8H,1-3,12H2,(H2,13,14)(H,17,18)/t7-,8+/m1/s1
InChIKeyIBYJGJWDJZNZKA-SFYZADRCSA-N
XLogP-0.00
TPSA122.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-(1-aminoethenyl)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid?
The IUPAC name of (2S,3R)-1-(1-aminoethenyl)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid (CID 147889258) is (2S,3R)-1-(1-aminoethenyl)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-1-(1-aminoethenyl)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid?
The canonical SMILES for (2S,3R)-1-(1-aminoethenyl)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid is C=C(N)N1C(=O)[C@H](CCc2cnc(N)s2)[C@H]1C(=O)O.
What is the InChIKey of (2S,3R)-1-(1-aminoethenyl)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid?
The InChIKey is IBYJGJWDJZNZKA-SFYZADRCSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-5(12)15-8(10(17)18)7(9(15)16)3-2-6-4-14-11(13)19-6/h4,7-8H,1-3,12H2,(H2,13,14)(H,17,18)/t7-,8+/m1/s1.
What are the key properties of (2S,3R)-1-(1-aminoethenyl)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid?
(2S,3R)-1-(1-aminoethenyl)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid has a molecular weight of 282.32 g/mol, XLogP of -0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-(1-aminoethenyl)-3-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-4-oxoazetidine-2-carboxylic acid is sourced from PubChem (CID 147889258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).